3,4-디메틸벤질아민

Benzenemethanamine, 3,4-dimethyl-

HCID 66888

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 102-48-7
표준 SMILES: Cc1ccc(CN)cc1C
InChIKey: PXNRCZQMDSDSHJ-UHFFFAOYSA-N
분자식: C9H13N
평균 분자량: 135.21 g/mol
단동위원소 질량: 135.10479942

이름 및 식별자

우선 이름: Benzenemethanamine, 3,4-dimethyl-
IUPAC: (3,4-dimethylphenyl)methanamine
현지명: 3,4-디메틸벤질아민
영어명: 3,4-Dimethylbenzylamine
분자식: C9H13N
분자량: 135.21

이름 및 동의어

3,4-Dimethylbenzylamine102-48-7Benzenemethanamine, 3,4-dimethyl-EINECS 203-034-6DTXSID4059253RefChem:563262DTXCID7032682203-034-6(3,4-Dimethylphenyl)methanamineBenzylamine, 3,4-dimethyl-MFCD000255771-(3,4-dimethylphenyl)methanamine

이름 더 보기

3,4-디메틸벤질아민RARECHEM AL BW 03533,4-Dimethylbenzylam3,4-Dimethylbenzylamin3,4-Dimethylbenzylamine >3,4-DIMETHYLBENZYLAMINE HCL3,4-dimethyl-benzenemethanamin3,4-dimethyl-Benzenemethanamine

3,4-Dimethylbenzenemethanamine3,4-dimethylbenzyl amine(3,4-dimethylphenyl)methylamine3,4-dimethyl-benzylamineSCHEMBL39710SCHEMBL6284788SCHEMBL28922773SCHEMBL29406921

데이터베이스 식별자

CAS: 102-48-7
PubChem CID: 66888
DTXSID: DTXSID4059253
EC Number: 203-034-6
Nikkaji: J182.157A

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: 93 °C · 93 °C
밀도: 0.95 · 0.95
굴절률: 1.535 to · 1.5350 to 1.5390
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 9.28 · 9.28±0.10(Predicted)
색상: Light orange to Yellow to Green
Specific Gravity: 0.95 · 0.95
InChI: 1S/C9H13N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6,10H2,1-2H3
InChIKey: PXNRCZQMDSDSHJ-UHFFFAOYSA-N
SMILES: Cc1ccc(CN)cc1C
NIST: 3 · Benzenemethanamine, 3,4-dimethyl-(102-48-7)
EPA: 3 · Benzenemethanamine, 3,4-dimethyl- (102-48-7)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (71.4%): 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, P317, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.