(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol

HCID 854145CAS 78603-95-9

기본 정보

표준 SMILES: CC(C)[C@H](N)C(O)(c1ccccc1)c1ccccc1
InChIKey: LNQVZZGGOZBOQS-INIZCTEOSA-N
분자식: C17H21NO
평균 분자량: 255.35 g/mol

이름 및 식별자

우선 이름: (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol
IUPAC: (2S)-2-amino-3-methyl-1,1-diphenylbutan-1-ol
영어명: (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol
분자식: C17H21NO
분자량: 255.36

이름 및 동의어

78603-95-9(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanolRefChem:407683624-860-7S-2-Amino-3-methyl-1,1-diphenylbutan-1-ol(S)-2-amino-3-methyl-1,1-diphenylbutan-1-ol(2S)-2-amino-3-methyl-1,1-diphenylbutan-1-olMFCD01318248(S)-2-Amino-1,1-diphenyl-3-methyl-1-butanol(2S)-2-amino-3-methyl-1,1-diphenyl-butan-1-olSCHEMBL607719(s)-2-amino-3-methyl-1,1-diphenyl-1-butanol

이름 더 보기

1,1-Diphenyl-L-valinol4-anilino-3-(methylamino)butan-1-ol(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol(S)-2-Amino-3-methyl-1,1-diphenyl-1-butanol,99%e.e.(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol >(S)-2-Amino-3-methyl-1,1-diphenylbutan-1-ol, for synthesisBenzenemethanol, α-[(1S)-1-amino-2-methylpropyl]-α-phenyl-

FD1202AKOS004903158CS-W014609AC-23803DS-13478SY006698DB-075497A2504

데이터베이스 식별자

CAS: 78603-95-9
PubChem CID: 854145
EC Number: 624-860-7
Nikkaji: J274.411B

물성

구조 계산 물성

XLogP: 3
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 246

물리화학적 성질

녹는점: 95 · 95-99 °C(lit.)
끓는 점: 424.7 · 424.7±40.0 °C(Predicted)
밀도: 1.074 · 1.074±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: not very sol water
물리적 상태: powder to crystal
산도 계수 (pKa): 11.2 · 11.20±0.50(Predicted)
색상: 흰색에서 거의 흰색

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.