N-메틸-N-벤질라니린

N-Methyl-N-phenylbenzylamine

HCID 69191CAS 614-30-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(Cc1ccccc1)c1ccccc1
InChIKey: LXZGVFCKZRHKMU-UHFFFAOYSA-N
분자식: C14H15N
평균 분자량: 197.27 g/mol
단동위원소 질량: 197.12044948

이름 및 식별자

우선 이름: N-Methyl-N-phenylbenzylamine
IUPAC: N-benzyl-N-methylaniline
현지명: N-메틸-N-벤질라니린
영어명: N-METHYL-N-BENZYLANILINE
분자식: C14H15N
분자량: 197.28

이름 및 동의어

N-Benzyl-N-methylaniline614-30-2N-Methyl-N-benzylanilineBenzenemethanamine, N-methyl-N-phenyl-N-Methyl-N-phenylbenzylamineBenzylamine, N-methyl-N-phenyl-1S9PP10CZSNSC 97NSC-97N-benzyl-N-methyl-N-phenylamineN-BENZYL-N-METHYLBENZENAMINEEINECS 210-375-4

이름 더 보기

N-메틸-N-벤질라니린NSC97METHYLBENZYLANILINEN-METHYL-N-BENZYLANIBenzylmethylphenylamineN-Methyl-N-benzylanilinN-Benzyl-N-methylanilinN-BENZYL N-METHYL ANILINEN-Phenyl-N-methylbenzylamine

DTXSID6060630N-BENZYL-N-METHYLPHENYLAMINEN-METHYL-N-BENZYLPHENYLAMINEN-METHYL-N-PHENYLBENZENEMETHANAMINERefChem:830641DTXCID8043022Benzylamine, N-methyl-N-phenyl-(8CI)210-375-4

데이터베이스 식별자

CAS: 614-30-2
PubChem CID: 69191
DTXSID: DTXSID6060630
UNII: 1S9PP10CZS
EC Number: 210-375-4
Nikkaji: J96.119A

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 166

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1680.8

2430

물리화학적 성질

녹는점: 9.3 °C · 9.3°C
끓는 점: 318 °C · 318 °C(lit.)
밀도: 1.04 g/mL · 1.04 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.605(lit.)
인화점: 110 °C · 110 °C
저장 조건: 30 °C · Store below +30°C.
용해도: 0.009 g/L · 0.009g/L
산도 계수 (pKa): 4.38 · 4.38±0.50(Predicted)
물리적 상태: liquid
수용성: 0.009 g/L · 0.009g/L
InChI: InChI=1S/C14H15N/c1-15(14-10-6-3-7-11-14)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKey: LXZGVFCKZRHKMU-UHFFFAOYSA-N
SMILES: C1(CN(C)C2=CC=CC=C2)=CC=CC=C1
EPA: Benzenemethanamine, N-methyl-N-phenyl- (614-30-2)