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(+)-Valinol

(+)-Valinol structure

CAS No:
2026-48-4
Formula:
C5H13NO
Chemical Name:
(+)-Valinol
Synonyms:
1-Butanol,2-amino-3-methyl-,(2S)-;1-Butanol,2-amino-3-methyl-,L-;1-Butanol,2-amino-3-methyl-,(S)-;(2S)-2-Amino-3-methyl-1-butanol;L-Valinol;(S)-2-Amino-3-methyl-1-butanol;(S)-Valinol;(S)-(+)-Valinol;(+)-(S)-Valinol;(+)-Valinol;(2S)-Valinol;(S)-(+)-2-Amino-3-methyl-1-butanol;[(S)-1-(Hydroxymethyl)-2-methylpropyl]amine;NSC 322922;(+)-2-Amino-3-methyl-1-butanol;(S)-2-Amino-3-methylbutanol;(2S)-1-Hydroxy-3-methylbutan-2-amine
Categories:
Pharmaceutical Intermediates > Antivirals

Description

white to light yellow crystal powde

Valinol is an organic compound named after, and commonly produced from, the amino acid valine. The compound is chiral and is produced almost exclusively as the S‑isomer (also designated as the L‑isomer), due to the abundant supply of S-valine. It is part of a broader class of amino alcohols

(+)-Valinol Basic Attributes

Molecular Weight：

103.16

Exact Mass：

103.16

BRN：

1719137

EC Number：

217-975-5

HScode：

29221980

Characteristics

PSA：

46.2

XLogP3：

Appearance：

Clear slightly yellow Liquid After Melting

Density：

0.9±0.1 g/cm3

Melting Point：

31-32 °C

Boiling Point：

71.5-73.5 °C

Flash Point：

196 °F

Refractive Index：

1.447

Water Solubility：

soluble in water.

Storage Conditions：

2-8°C

Vapor Pressure：

0.182mmHg at 25°C

Specific rotation：

16 º (c=10,EtOH)

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36-36/37/38

safety instructions：

26-24/25-36

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures. Absorbs carbon dioxide from the air.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Warning|H315 (16.67%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 52 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(+)-Valinol Use and Manufacturing

Used as pharmaceutical intermediates, but also for other organic synthesis

Computed Properties

Molecular Weight:103.16
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:103.099714038
Monoisotopic Mass:103.099714038
Topological Polar Surface Area:46.2
Heavy Atom Count:7
Complexity:45.3
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

157985-11-0

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