L-Valinol

HCID 640993CAS 2026-48-4

기본 정보

표준 SMILES: CC(C)[C@H](N)CO
InChIKey: NWYYWIJOWOLJNR-RXMQYKEDSA-N
분자식: C5H13NO
평균 분자량: 103.16 g/mol
단동위원소 질량: 103.09971404

이름 및 식별자

우선 이름: L-Valinol
IUPAC: (2S)-2-amino-3-methylbutan-1-ol

이름 및 동의어

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

이름 더 보기

(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 45.3

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

안전 및 규제

GHS 분류

GHS Classification · 5건

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.