CAS 127633-95-8 1-(Pyridin-3-yl)propan-1-ol (HCID 11083942)

기본 정보

CAS: 127633-95-8
표준 SMILES: CCC(O)c1cccnc1
InChIKey: FIGGGNADMGYZFG-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 1-(Pyridin-3-yl)propan-1-ol
IUPAC: 1-pyridin-3-ylpropan-1-ol
현지명: 3-피리딘메탄올,알파-에틸-,(S)-(9CI)
영어명: 3-Pyridinemethanol,alpha-ethyl-,(S)-(9CI)
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

1-(Pyridin-3-yl)propan-1-ol40918-79-43-(1-hydroxypropyl)pyridine1-pyridin-3-ylpropan-1-ol3-Pyridinemethanol,alpha-ethyl-,(S)-(9CI)3-pyridylpropanol127633-95-81-pyridin-3yl-propanol1-(3-pyridyl)propan-1-olSCHEMBL1579049SCHEMBL2067545SCHEMBL6224287

이름 더 보기

3-피리딘메탄올,알파-에틸-,(S)-(9CI)(S)-1-(Pyridin-3-yl)propan-1-ol(1S)-1-(pyridin-3-yl)propan-1-ol3-Pyridinemethanol, α-ethyl-, (αS)-

SCHEMBL76293181-(pyridin-3-yl) propan-1-olFIGGGNADMGYZFG-UHFFFAOYSA-NAKOS010013773DB-328679CS-0225496G40401EN300-1240558

데이터베이스 식별자

CAS: 127633-95-8
PubChem CID: 11083942
EC Number: 117-418-5
Nikkaji: J1.557.431C

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95

물리화학적 성질

끓는 점: 254.4 · 254.4±15.0 °C(Predicted)
밀도: 1.053 · 1.053±0.06 g/cm3(Predicted)
산도 계수 (pKa): 13.75 · 13.75±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.