(1,2,3,4-Tetrahydroquinolin-3-yl)methanol

HCID 12662987CAS 79180-47-5

기본 정보

표준 SMILES: OCC1CNc2ccccc2C1
InChIKey: PWWRXANDKQBKRW-UHFFFAOYSA-N
분자식: C10H13NO
평균 분자량: 163.22 g/mol
단동위원소 질량: 163.09971404

이름 및 식별자

우선 이름: (1,2,3,4-Tetrahydroquinolin-3-yl)methanol
IUPAC: 1,2,3,4-tetrahydroquinolin-3-ylmethanol

이름 및 동의어

79180-47-5(1,2,3,4-tetrahydroquinolin-3-yl)methanolRefChem:391221856-119-01,2,3,4-tetrahydroquinolin-3-ylmethanolSCHEMBL2036744SCHEMBL5552021PWWRXANDKQBKRW-UHFFFAOYSA-NAKOS005067606DA-30368EN300-50494(1,2,3,4-Tetrahydro-quinolin-3-yl)-methanol

이름 더 보기

AB01005461-013(r/s)-(hydroxymethyl)-1,2,3,4-tetrahydro-quinoline3(R/S)-(hydroxymethyl)- 1,2,3,4-tetrahydro-quinolineZ359510194

데이터베이스 식별자

CAS: 79180-47-5
PubChem CID: 12662987
EC Number: 856-119-0

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 149

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.