Valinol

HCID 79019CAS 16369-05-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)C(N)CO
InChIKey: NWYYWIJOWOLJNR-UHFFFAOYSA-N
분자식: C5H13NO
평균 분자량: 103.16 g/mol
단동위원소 질량: 103.09971404

개요

2-Amino-3-methyl-1-butanol is an amino alcohol.

이름 및 식별자

우선 이름: Valinol
IUPAC: 2-amino-3-methylbutan-1-ol
영어명: DL-2-AMINO-3-METHYL-1-BUTANOL
분자식: C5H13NO
분자량: 103.16

이름 및 동의어

Valinol1-Butanol, 2-amino-3-methyl-473-75-6RefChem:7944062-amino-3-methylbutan-1-ol16369-05-42-Amino-3-methyl-1-butanolDL-Valinoldl-2-amino-3-methyl-1-butanol(R)-(-)-2-Amino-3-methyl-1-butanolMFCD00004730(+/-)-Valinol

이름 더 보기

rac-Valinol2-AMino-3-Methyl-1-butanol 97%2-Amino-3-methylbutan-1-ol 95+%DL-2-Amino-3-methyl-1-butanol,95%rac-(R*)-3-Methyl-2-amino-1-butanolrac-(R*)-2-Amino-3-methylbutane-1-ol

2-amino-3-methyl-butan-1-olL-(+)-ValinolValinol, DL-2-amino-3-methylbutanolUNII-F4FX82ATU2F4FX82ATU2(S)-2-Amino-3-methyl-1-butanol1-Butanol, 2-amino-3-methyl-, (.+/-.)-

데이터베이스 식별자

CAS: 16369-05-4、2026-48-4、473-75-6
PubChem CID: 79019
DTXSID: DTXSID70862814
ChEBI: CHEBI:183239
UNII: F4FX82ATU2
EC Number: 240-425-0
Nikkaji: J12.589J

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

물리화학적 성질

녹는점: 31 · 31-32℃
끓는 점: 75 · 75-77 °C8 mm Hg(lit.)
밀도: 0.936 g/mL · 0.936 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4543(lit.)
인화점: 194 °F · 194 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
수용성: 물에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 12.82 · 12.82±0.10(Predicted)
색상: 맑은 노란색
InChI: InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3
InChIKey: NWYYWIJOWOLJNR-UHFFFAOYSA-N
SMILES: C(O)C(N)C(C)C

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: 2735
HS 번호: 29221990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도2-Amino-3-methyl-1-butanol was used in the synthesis of 1-allyl-2-pyrroleimines. It was also used as chiral nucleophile in the total synthesis of benanomicin-pradimicin antibiotics. It was used as homochiral guest compound during synthesis of crown ethers containing two chiral subunits.