Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)

HCID 165576CAS 7149-10-2

기본 정보

표준 SMILES: COc1cc(CN)ccc1O.Cl
InChIKey: PUDMGOSXPCMUJZ-UHFFFAOYSA-N
분자식: C8H12ClNO2
평균 분자량: 189.64 g/mol
단동위원소 질량: 189.0556563

이름 및 식별자

우선 이름: Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)
IUPAC: 4-(aminomethyl)-2-methoxyphenol;hydrochloride

이름 및 동의어

7149-10-2Vanillylamine hydrochloride4-Aminomethyl-2-methoxyphenol hydrochlorideYD97FX0LRFNSC-62020Phenol, 4-(aminomethyl)-2-methoxy-, hydrochloride (1:1)DTXSID70221705RefChem:901718DTXCID60144196230-468-34-Hydroxy-3-methoxybenzylamine hydrochloride4-(aminomethyl)-2-methoxyphenol hydrochloride

이름 더 보기

Vanillylamine HClMFCD00012864vanillyl amine HCl4-HYDROXY-3-METHOXYBENZYLAMINE HCl4-(aminomethyl)-2-methoxyphenol;hydrochlorideVanillylamine (hydrochloride)HY-W015211AC-4782

데이터베이스 식별자

CAS: 7149-10-2
PubChem CID: 165576
DTXSID: DTXSID70221705
UNII: YD97FX0LRF
EC Number: 230-468-3

물성

구조 계산 물성

극성 표면적: 55.5 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 119

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.9%): 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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.