Valinol

2-AMINO-3-METHYL-1-BUTANOL · DL-VALINOL · rac-Valinol · DL-2-AMINO-3-METHYL-1-BUTANOL · 2-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-butanol

https://huagongshe.com/ko/chemical/79019

식별자 및 물리적 특성

CAS No.	16369-05-4
분자식	C5H13NO
평균 분자량	103.16 g/mol
단동위원소 질량	103.09971404 g/mol
SMILES	CC(C)C(N)CO
InChIKey	NWYYWIJOWOLJNR-UHFFFAOYSA-N
PubChem CID	79019
ChEBI	CHEBI:183239
EC No.	240-425-0
DTXSID	DTXSID70862814

화학 및 물리적 성질

XLogP	0
극성 표면적	46.3
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
녹는점	31-32℃
끓는 점	75-77 °C8 mm Hg(lit.)
밀도	0.936 g/mL at 25 °C(lit.)
굴절률	n20/D 1.4543(lit.)
인화점	194 °F
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	물에 용해됨
물리적 상태	액체
pKa(산도 계수)	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	WarningH315 (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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	2735
관세 코드	29221990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36/37
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

2-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.