D-Valinol (HCID 6950587)

이름 및 식별자

우선 이름: D-Valinol
IUPAC: (2R)-2-amino-3-methylbutan-1-ol
현지명: D-발리놀
영어명: (R)-(-)-2-Amino-3-methyl-1-butanol
분자식: C5H13NO
분자량: 103.16

이름 및 동의어

D-Valinol4276-09-9DTXSID804262041-Butanol, 2-amino-3-methyl-, (2R)-RefChem:585126DTXCID10377038628-067-7922-908-4(2R)-2-amino-3-methylbutan-1-ol(R)-(-)-2-Amino-3-methyl-1-butanol(R)-2-Amino-3-methylbutan-1-ol(R)-2-Amino-3-methyl-1-butanol

이름 더 보기

(R)-(-)-2-아미노-3-메틸-1-부탄올D-발리놀2-AMINO-3-METHYLBUTAN-1-OLD-Val-olD-VALINALR-VALINOLH-D-VAL-OL(-)-D-VALINOLD-(-)-VALINOLD-Valinol, 97%D-Valinol,99%e.e.

MFCD00064297(R)-valinol(2R)-2-amino-3-methyl-1-butanol1-Butanol, 2-amino-3-methyl-, (R)-(R)-2-Amino-3-methyl-butan-1-olD-2-Amino-3-methyl-1-butanolValinol, D-(-)-Valinol

데이터베이스 식별자

CAS: 4276-09-9
PubChem CID: 6950587
DTXSID: DTXSID80426204
UNII: 829QNS6ERZ
EC Number: 628-067-7、922-908-4
Nikkaji: J63.546D

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

물리화학적 성질

녹는점: 35 · 35-36 °C(lit.)
끓는 점: 189 · 189-190 °C(lit.)
밀도: 0.931 g/mL · 0.931 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.455
인화점: 194 °F · 194 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 저융점 결정 또는 결정질 덩어리
산도 계수 (pKa): 12.82 · 12.82±0.10(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 1719138 · 1719138
InChI: 1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m0/s1
InChIKey: NWYYWIJOWOLJNR-YFKPBYRVSA-N
SMILES: CC(C)[C@@H](N)CO

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information1-Butanol, 2-amino-3-methyl-, (2R)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2건

Acute Tox. 4 (20%)；Skin Corr. 1B (20%)；Eye Dam. 1 (20%)

Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (95.2%)

규제 정보

Regulatory Information1-Butanol, 2-amino-3-methyl-, (2R)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
HS 번호: 29051990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37-36-36/37/38
F 고인화성물질: 10-34
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도D-Valinol is used as a reagent in the synthesis of the HIV type 1 integrase inhibitor Elvitegravir (E509000). D-Valinol is also used in the preparation of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally active GSK-3β inhibitors for Alzheimer''s disease.