1-(4-메톡시페닐)-2-메틸프로판-2-아민

2-(4-Methoxyphenyl)-1,1-dimethylethylamine

HCID 91892CAS 56490-94-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(CC(C)(C)N)cc1
InChIKey: DUMKDWRRTLFHTA-UHFFFAOYSA-N
분자식: C11H17NO
평균 분자량: 179.26 g/mol
단동위원소 질량: 179.13101416

이름 및 식별자

우선 이름: 2-(4-Methoxyphenyl)-1,1-dimethylethylamine
IUPAC: 1-(4-methoxyphenyl)-2-methylpropan-2-amine
현지명: 1-(4-메톡시페닐)-2-메틸프로판-2-아민
영어명: 1-(4-methoxyphenyl)-2-methylpropan-2-amine
분자식: C11H17NO
분자량: 179.26

이름 및 동의어

1-(4-methoxyphenyl)-2-methylpropan-2-amine56490-94-9DTXSID5012650702-(4-methoxyphenyl)-1,1-dimethylethylamineRefChem:457915DTXCID001459086842-161-72-(4-Methoxy-phenyl)-1,1-dimethyl-ethylamineMFCD098885831,1-dimethyl-2-(4-methoxyphenyl)ethylamineMebeverine Impurity 4VVT3PXC8B3

이름 더 보기

1-(4-메톡시페닐)-2-메틸프로판-2-아민Odatero Impurity 11Olodaterol Impurity 9Benzeneethanamine, 4-methoxy-α,α-dimethyl-2-Methyl-1-(4-methoxyphenyl)-2-propanamine1-(2-amino-2-methylpropyl)-4-methoxybenzene1-(4-methoxyphenyl)-2-methylpropan-2-amine16

1-(4-methoxyphenyl)-2-methyl-propan-2-amineBenzeneethanamine, 4-methoxy-alpha,alpha-dimethyl-SCHEMBL183751CHEMBL149858SCHEMBL8852063DUMKDWRRTLFHTA-UHFFFAOYSA-NGCA49094AKOS012576694

데이터베이스 식별자

CAS: 56490-94-9
PubChem CID: 91892
DTXSID: DTXSID501265070
ChEMBL: CHEMBL149858
UNII: VVT3PXC8B3
EC Number: 842-161-7
Nikkaji: J1.399.414E

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 148

물리화학적 성질

끓는 점: 269.4 · 269.4±15.0 °C(Predicted)
밀도: 0.979 · 0.979±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10 · 10.00±0.25(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.