L-Valinol

HCID 640993

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Basic information

CAS: 2026-48-4
Standard SMILES: CC(C)[C@H](N)CO
InChIKey: NWYYWIJOWOLJNR-RXMQYKEDSA-N
Molecular formula: C5H13NO
Average molar mass: 103.16 g/mol
Monoisotopic mass: 103.09971404

Names & identifiers

Preferred name: L-Valinol
IUPAC: (2S)-2-amino-3-methylbutan-1-ol

Names & synonyms

L-Valinol2026-48-4(S)-(+)-2-Amino-3-methyl-1-butanol(2S)-2-amino-3-methylbutan-1-ol1-Butanol, 2-amino-3-methyl-, (2S)-(+)-ValinolR54N4NJ3ZZ(S)-(+)-2-Amino-3-methylbutan-1-olDTXSID901318132RefChem:798190DTXCID901747921(S)-2-amino-3-methylbutan-1-ol

Show more names

(S)-valinolL-(+)-ValinolMFCD00064296(2S)-2-Amino-3-Methyl-Butan-1-Ol(S)-2-Amino-3-methyl-1-butanolSCHEMBL81276[(S)-1-(Hydroxymethyl)-2-methylpropyl]amineCS-W020370

Database identifiers

CAS: 2026-48-4
PubChem CID: 640993
DTXSID: DTXSID901318132
UNII: R54N4NJ3ZZ
EC Number: 217-975-5
Nikkaji: J63.547B

Properties

Computed structural propertiesFilling in

XLogP: 0
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 45.3

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 7.5% (4 of 53) of reports.

Warning

H315 (15.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.