기본 정보
- 표준 SMILES
CN(c1ccccc1)c1ccccc1- InChIKey
DYFFAVRFJWYYQO-UHFFFAOYSA-N- 분자식
- C13H13N
- 평균 분자량
- 183.25 g/mol
- 단동위원소 질량
- 183.10479942
이름 및 식별자
- 우선 이름
- Methyldiphenylamine
- IUPAC
- N-methyl-N-phenylaniline
- 영어명
- N-Methyldiphenylamine
- 분자식
- C13H13N
- 분자량
- 183.25
이름 및 동의어
N-Methyldiphenylamine552-82-9METHYLDIPHENYLAMINEBenzenamine, N-methyl-N-phenyl-DiphenylmethylamineN,N-DiphenylmethylamineDiphenylamine, N-methyl-diphenylaminomethaneB28ZGH99IHNSC 3790AI3-02479N-METHYL-N-PHENYLBENZENAMINE
이름 더 보기
Demelverinemethyl-diphenyl-amine1,1-DIPHENYLMETHYLAMINEN,N-DiphenylmethanamineN-Methyl-N-phenylanilineN,N-DIPHENYL METHYLAMINE
NSC-3790EINECS 209-023-2METHYLDIPHENYLAMINE [MI]DTXSID4060284NMethylNphenylanilineN,NDiphenylmethylamineDiphenylamine, NmethylNMethylNphenylbenzenamine
데이터베이스 식별자
- CAS
552-82-9- PubChem CID
- 11098
- DTXSID
DTXSID4060284- UNII
- B28ZGH99IH
- EC Number
- 209-023-2
- Nikkaji
- J37.748A
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 137
실험 및 물리화학적 성질
PolymersNitrogen Compounds -> Amines, Polyaromatic
SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid; [Merck Index] Yellow liquid; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- -7.6 °C · -7.6 °C
- 끓는 점
- 293 °C · 293 °C (lit.)
- 밀도
- 1.05 g/mL · 1.05 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.623(lit.)
- 인화점
- 230 °F · 230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 1 · 1.00±0.20(Predicted)
- 색상
- 흰색에서 베이지색
- 수용성
- 불용성
- Merck
- 14 · 14,6054
- InChI
- 1S/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
- InChIKey
- DYFFAVRFJWYYQO-UHFFFAOYSA-N
- SMILES
- CN(c1ccccc1)c2ccccc2
- NIST
- Benzenamine, N-methyl-N-phenyl-(552-82-9)
- EPA
- Benzenamine, N-methyl-N-phenyl- (552-82-9)
화학적 성질
CLEAR YELLOW LIQUID
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: Benzenamine, N-methyl-N-phenyl-
Hazards SummaryAn irritant; [Acros Organics MSDS] See Diphenylamine.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29214400
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
UsesUsed to make dyes and as a reagent; [Merck Index]
General Manufacturing InformationBenzenamine, N-methyl-N-phenyl-: ACTIVE
응용 분야
용도manufacture of dyes; as reagent similar to diphenylamine.
일반 설명N-Methyldiphenylamine is an aromatic tertiary amine. It undergoes transformation to N-methylcarbazole (C) via a photochemical reaction.
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