(S)-1-Phenyl-3-propanolamine

HCID 2734520CAS 82769-76-4

기본 정보

표준 SMILES: N[C@@H](CCO)c1ccccc1
InChIKey: SEQXIQNPMQTBGN-VIFPVBQESA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: (S)-1-Phenyl-3-propanolamine
IUPAC: (3S)-3-amino-3-phenylpropan-1-ol
영어명: (S)-3-Amino-3-phenylpropan-1-ol
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

(s)-1-phenyl-3-propanolamineRefChem:407816(-)-3-Amino-3-phenylpropanol635-104-0(S)-3-Amino-3-phenylpropan-1-ol82769-76-4(3S)-3-amino-3-phenylpropan-1-olMFCD01311768(s)-3-phenyl-beta-alaninol(S)-3-Amino-3-phenyl-1-propanol(s)-beta-phenylalaninolDapoxetine Impurity 50

이름 더 보기

S-β-Phe-ol(S)-3-Amino-3-phenyLMaraviroc Impurity 9Dapoxetine Impurity 47Dapoxetine Impurity N1(S)-3-Amino-3-phenylpropi-1-ol

SCHEMBL1454854(3S)-3-amino-3-phenyl-1-propanol(s)-3-amino-3-phenyl propan-1-ol(s)-3-amino-3-phenyl-propan-1-olAC-071(S)-3-AMINO-3-PHENYLPROPANOLAKOS015854099CS-W002754

데이터베이스 식별자

CAS: 82769-76-4
PubChem CID: 2734520
DTXSID: DTXSID90370345
EC Number: 635-104-0
Nikkaji: J2.580.312D

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 99

물리화학적 성질

녹는점: 68 · 68-69 °C
끓는 점: 273.23 °C · 273.23°C (rough estimate)
밀도: 1.0406 · 1.0406 (rough estimate)
굴절률: 1.4755 · 1.4755 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 14.9 · 14.90±0.10(Predicted)
물리적 상태: 점성 액체 또는 저융점 고체
색상: 무색 또는 흰색

화학적 성질

colorless viscous liquid or

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 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.