Benzylaniline (HCID 66028)

개요

major metabolite of antazoline; RN given refers to parent cpd

이름 및 식별자

우선 이름: Benzylaniline
IUPAC: N-benzylaniline
현지명: N-페닐벤질아민
영어명: N-Phenylbenzylamine
분자식: C13H13N
분자량: 183.25

이름 및 동의어

N-Benzylaniline103-32-2N-PhenylbenzylamineBenzylanilinePhenylbenzylamineBenzenemethanamine, N-phenyl-BenzylphenylamineBenzylamine, N-phenyl-Benzenamine, N-(phenylmethyl)-N-benzylbenzenamineR1FVH9A316NSC-147284

이름 더 보기

N-페닐벤질아민aminobenzophenoneBENZYL-PHENYL-AMINEN-BenzylphenylamineAURORA 4803PhenhenzamineA-TOLUYL CHLORIDEaniline,N-benzyl-

DTXSID7059272RefChem:566935DTXCID3032759203-100-4Aniline, N-benzyl-N-MonobenzylanilineN-benzyl anilineN-Phenylbenzenemethanamine

데이터베이스 식별자

CAS: 103-32-2
PubChem CID: 66028
DTXSID: DTXSID7059272
ChEMBL: CHEMBL237223
UNII: R1FVH9A316
EC Number: 203-100-4
Nikkaji: J5.015F

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 143

실험 및 물리화학적 성질

PolymersNitrogen Compounds -> Amines, Polyaromatic

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.000913 [mmHg]

Physical DescriptionSolid; mp = 37-38 deg C; [Merck Index] Yellow solidified mass or fragments; mp = 35-38 deg C; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 35 · 35-38 °C (lit.)
끓는 점: 306 · 306-307 °C (lit.)
밀도: 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5325(lit.)
인화점: 217 °F · 217 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 알코올: 용해 가능
물리적 상태: 결정질 분말 또는 저융점 질량
산도 계수 (pKa): 3.89 · 3.89±0.10(Predicted)
색상: 무색~황색~베이지색
Specific Gravity: 1.061 · 1.061
수용성: 불용성
Merck: 14 · 14,1126
InChI: 1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKey: GTWJETSWSUWSEJ-UHFFFAOYSA-N
SMILES: C(Nc1ccccc1)c2ccccc2
NIST: Benzenemethanamine, N-phenyl-(103-32-2)
EPA: Benzenemethanamine, N-phenyl- (103-32-2)

화학적 성질

colorless to yellow-beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenemethanamine, N-phenyl-

Benzenemethanamine, N-phenyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Diphenylamine and N-Ethyl-N-benzylaniline.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2577 8/PG 2
HS 번호: 29214980
risk_code: 36/37/38
hazard_code: C,Xi
safety_code: 26-37/39
F 고인화성물질: 21
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesMajor metabolite of antazoline. [ChemIDplus]

General Manufacturing InformationBenzenemethanamine, N-phenyl-: ACTIVE

응용 분야 · 2건

용도N-Benzylaniline is a major metabolite of the antihistaminic Antazoline and other N-substituted benzylanilines.

일반 설명The electropolymerisation of N-benzylaniline at transparent Indium Tin Oxide glass electrodes has been investigated by UV-visible spectroelectrochemistry. N-Benzylaniline on electrochemical oxidation in aqueous sulfuric acid solution produces an adherent conducting polymer film at the platinum electrode.