2,3-디메틸벤질아민

(2,3-Dimethylphenyl)methanamine

HCID 2800811CAS 51586-20-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(CN)c1C
InChIKey: UKLRWOHZBISUMI-UHFFFAOYSA-N
분자식: C9H13N
평균 분자량: 135.21 g/mol
단동위원소 질량: 135.10479942

이름 및 식별자

우선 이름: (2,3-Dimethylphenyl)methanamine
IUPAC: (2,3-dimethylphenyl)methanamine
현지명: 2,3-디메틸벤질아민
영어명: 2,3-Dimethylbenzylamine
분자식: C9H13N
분자량: 135.21

이름 및 동의어

(2,3-dimethylphenyl)methanamineRefChem:394529674-257-82,3-Dimethylbenzylamine51586-20-02,3-dimethylbenzyl amineMFCD000526801-(2,3-dimethylphenyl)methanamine(2,3-dimethylphenyl)methylamineBenzenemethanamine, 2,3-dimethyl-2,3-Dimethyl-benzylamineSCHEMBL15997

이름 더 보기

2,3-디메틸벤질아민BUTTPARK 96\57-58RARECHEM AL BW 03862,3-Dimethylbenzylam(2,3-Dimethylphenyl)methanamine - [D88715](2,3-Dimethylphenyl)methylamine, 3-(Aminomethyl)-o-xylene

CHEMBL268979SCHEMBL2095297SCHEMBL3940648SCHEMBL8065611SCHEMBL28102825DTXSID90384189UKLRWOHZBISUMI-UHFFFAOYSA-NCK1112

데이터베이스 식별자

CAS: 51586-20-0
PubChem CID: 2800811
DTXSID: DTXSID90384189
ChEMBL: CHEMBL268979
EC Number: 674-257-8
Nikkaji: J565.899C

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 101

물리화학적 성질

끓는 점: 118 °C · 118 °C
밀도: 0.97 · 0.97
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: 액체
산도 계수 (pKa): 9.31 · 9.31±0.10(Predicted)
색상: Clear, faint yellow

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.