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Alanine, 3-amino-, hydrochloride (1:1)

Alanine, 3-amino-, hydrochloride (1:1) structure

CAS No:
54897-59-5
Formula:
C3H8N2O2.ClH
Chemical Name:
Alanine, 3-amino-, hydrochloride (1:1)
Synonyms:
Alanine,3-amino-,hydrochloride (1:1);DL-Alanine,3-amino-,monohydrochloride;Alanine,3-amino-,monohydrochloride;DL-2,3-Diaminopropionic acid hydrochloride;2,3-Diaminopropionic acid hydrochloride;2,3-Diaminopropionic acid monohydrochloride;α,β-Diaminopropionic acid monohydrochloride;DL-2,3-Diaminopropionic acid monohydrochloride;2,3-Diaminopropanoic acid hydrochloride;NSC 90287;2,3-Diaminopropanoic acid monohydrochloride;6018-55-9
Categories:
Organic Chemistry > Amides

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Description

white to slightly beige fine crystalline powder

Alanine, 3-amino-, hydrochloride (1:1) Basic Attributes

Molecular Weight：

140.57

Exact Mass：

140.035248

BRN：

5293359

EC Number：

259-387-1

NSC Number：

90287

HScode：

2922499990

Characteristics

PSA：

89.3

XLogP3：

0.55960

Appearance：

White to slightly beige Fine Crystalline Powder

Melting Point：

245 °C (decomp)

Boiling Point：

325.6ºC at 760 mmHg

Flash Point：

150.7ºC

Water Solubility：

H2O: almost transparency

Storage Conditions：

0-6°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Alanine, 3-amino-, hydrochloride (1:1) Use and Manufacturing

To a solution of 2, 3-diaminopropionic acid hydrochloride (3.52 g 25 mmol) in ethanol (50 mL), K2CO3 (1.73 g, 12.5 mmol) was added. The resulting suspension was refluxed for30 min, and then a solution of ortho-vanillin (7.61, g 50 mmol) in ethanol (50 mL) was added to the reaction mixture. The reaction mixture was then refluxed for1 h, cooled, and filtered. The solvent was removed, and the residue was crystallized from ethyl acetate.Yield 6.08 g (16.3 mmol, 65%), yellow powder. IR spectrum, nu, cm-1: 3422, 1645, 1630, 1603. 1 NMRspectrum (DMSO-d6), delta, ppm: 3.74 s (3, OCH3), 3.75s (3, OCH3), 4.02 d. d (1, NCH2CHCO2H, 3JHH =12.7, 7.4 Hz), 4.12 d. d (1, NCH2CHCO2H, 3JHH =12.9, 4.1 Hz), 4.29 d. d (1, NCH2CHCO2H, 3JHH =7.4, 4.0 Hz), 6.70 t (2Ar, 3JHH = 7.9 Hz), 6.75 t (2Ar, 3JHH = 7.9 Hz), 6.97 q (2Ar, 3JHH = 7.9 Hz), 8.48 s(1, N=CH), 8.53 s (1, N=CH), 13.73 br. s (2, OH). Mass spectrum (HRMS-ESI+), m/z: 373.1388[M + H]+ (calculated for C19H21N2O6: 373.1394).

Computed Properties

Molecular Weight:140.57
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:140.0352552
Monoisotopic Mass:140.0352552
Topological Polar Surface Area:89.3
Heavy Atom Count:8
Complexity:73.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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DL-2,3-Diaminopropionic acid hydrochloride

CAS No.: 54897-59-5

Content: 99.00%

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Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
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CAS No.: 54897-59-5

Grade: Industrial Grade

Content: 99%

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Guide of Alanine, 3-amino-, hydrochloride (1:1)

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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Alanine, 3-amino-, hydrochloride (1:1)

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