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(S)-N-Boc-allylglycine

(S)-N-Boc-allylglycine structure

CAS No:
90600-20-7
Formula:
C10H17NO4
Chemical Name:
(S)-N-Boc-allylglycine
Synonyms:
Boc-L-beta-ALG;(S)-ALLYLGLYCINE;L-Boc-Allylglycine;RARECHEM BK PT 0250;N-Boc-L-Allylglycine;BOC-ALPHA-ALLYL-L-GLY;Boc-L-Alpha-Allyl-Gly;(S)-N-BOC-ALLYLGLYCINE;Boc-(S)-2-Allylglycine;(S)-N-BOC-Allylglycine,95%
Categories:
Pharmaceutical Intermediates > Antineoplastics

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Description

(S)-N-Boc-allylglycine is yellow oil or paste

(S)-N-Boc-allylglycine Basic Attributes

Molecular Weight：

215.25

Exact Mass：

215.115753

DSSTox ID：

DTXSID40370330

HScode：

2924199090

Characteristics

PSA：

75.6

XLogP3：

1.7

Appearance：

Clear pale yellow Viscous Liquid

Density：

1.1±0.1 g/cm3

Boiling Point：

334.3°C at 760 mmHg

Flash Point：

166.7±25.9 °C

Refractive Index：

1.473

Specific rotation：

10.5 º (c=1, methanol)

Safety Information

safety instructions：

24/25

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(S)-N-Boc-allylglycine Use and Manufacturing

N-Boc-L-Allylglycine is a boc-protected allylglycine used in the preparation of arginine analogues including the natural amino acid enduracididine.

Computed Properties

Molecular Weight:215.25
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:215.11575802
Monoisotopic Mass:215.11575802
Topological Polar Surface Area:75.6
Heavy Atom Count:15
Complexity:255
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium hydroxide

Ethyl acetate

Sulfuric acid