(1S,2R)-(-)-1-Amino-2-indanol

HCID 9866743CAS 126456-43-7

기본 정보

표준 SMILES: N[C@H]1c2ccccc2C[C@H]1O
InChIKey: LOPKSXMQWBYUOI-BDAKNGLRSA-N
분자식: C9H11NO
평균 분자량: 149.19 g/mol
단동위원소 질량: 149.08406397

이름 및 식별자

우선 이름: (1S,2R)-(-)-1-Amino-2-indanol
IUPAC: (1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol
영어명: (1S,2R)-(-)-cis-1-Amino-2-indanol
분자식: C9H11NO
분자량: 149.19

이름 및 동의어

126456-43-7(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-ol(1S,2R)-(-)-cis-1-Amino-2-indanol(1S,2R)-(-)-1-Amino-2-indanol(1s,2r)-cis-1-amino-2-indanolcis-(1s,2r)-1-amino-2-indanol(-)-cis-1-aminoindan-2-ol2(R)-hydroxy-1(S)-aminoindane1-Amino-2-indanol, cis-(-)-(1S-Cis)-1-amino-2-indanolUNII-LU3GK925A8LU3GK925A8

이름 더 보기

(1S,2R)-1-AMINO-2-INDANOL3aR(1S(1S,2R) -(−(1S,2R)-(-)-1-amino-2-ol(1S,2R)-1-Aminoindan-2-o

(1S,2R)-1-Amino-2,3-dihydro-1-inden-2-ol(2R-Cis)-1-amino-2,3-dihydro-1H-inden-2-ol((1S,2R)-2-Hydroxy-2,3-dihydro-1H-inden-1-yl)amineIndinavir sulfate specified impurity A [EP]DTXSID10155191INDINAVIR SULFATE IMPURITY A [EP IMPURITY]INDINAVIR SULFATE IMPURITY A (EP IMPURITY)Indinavir sulfate impurity, cis-aminoindanol-(USP)

데이터베이스 식별자

CAS: 126456-43-7、7480-35-5
PubChem CID: 9866743
UNII: LU3GK925A8
EC Number: 422-660-2、603-144-8
Nikkaji: J655.021E

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 148

물리화학적 성질

녹는점: 118 · 118-121 °C(lit.)
끓는 점: 270.27 °C · 270.27°C (rough estimate)
밀도: 1.0753 · 1.0753 (rough estimate)
굴절률: 1.576 · 1.5760 (estimate)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: 가루
산도 계수 (pKa): 14.79 · 14.79±0.40(Predicted)
색상: 흰색~밝은 베이지
수용성: 약간 용해됨
BRN: 4292559 · 4292559
InChI: 1S/C9H11NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,8-9,11H,5,10H2/t8-,9+/m1/s1
InChIKey: LOPKSXMQWBYUOI-BDAKNGLRSA-N
SMILES: N[C@@H]1[C@H](O)Cc2ccccc12

화학적 성질

white to light yellow crystal powder

안전 및 규제

안전 데이터

wgk: 3
tsca: No
ridadr: 3259
HS 번호: 29052900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
위험 등급: 8
F 고인화성물질: 10-23
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도1S,2R)-(-)-cis-1-Amino-2-indanol may be used to prepare:(-)-1,2,5,6-Tetrahydropyridine by reacting with methyl (E,E)-4-oxo-2-[(2,6,6-trimethylcyclohex-1-enyl)vinyl}but-2-enoate.Oxazaborolidine catalysts, which can catalyze the asymmetric reduction of aromatic ketones with high enantioselectivity.(RS,1S,2R)-(-)-2,4,6-Trimethylbenzenesulfinic acid 1-(2,4,6-trimethylbenzenesulfonylamino)indan-2-yl ester.

일반 설명(1S,2R)-(-)-cis-1-Amino-2-indanol is a main constituent of indinavir, a potent HIV (human immunodeficiency virus) protease inhibitor.