4-페닐벤질아민

4-Phenylbenzylamine

HCID 344989

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 712-76-5
표준 SMILES: NCc1ccc(-c2ccccc2)cc1
InChIKey: RMSPOVPGDBDYKH-UHFFFAOYSA-N
분자식: C13H13N
평균 분자량: 183.25 g/mol
단동위원소 질량: 183.10479942

이름 및 식별자

우선 이름: 4-Phenylbenzylamine
IUPAC: (4-phenylphenyl)methanamine
현지명: 4-페닐벤질아민
영어명: 4-PHENYLBENZYLAMINE
분자식: C13H13N
분자량: 183.25

이름 및 동의어

4-PhenylbenzylamineDTXSID60322856RefChem:526403DTXCID60273975628-115-7712-76-5[1,1'-Biphenyl]-4-ylmethanamine(4-phenylphenyl)methanamine4-(aminomethyl)biphenyl4-phenylbenzyl amineMFCD01310838Biphenyl-4-ylmethanamine

이름 더 보기

4-페닐벤질아민AKOS BBS-000068034-PhenylenzylamineRARECHEM AL BW 01724-PhenylbenzylaMine 97%4-Phenylbenzylamine ,98%BIPHENYL-4-YL-METHYLAMINE

4-Biphenylmethylamine1,1'-biphenyl-4-ylmethylamine(biphenyl-4-ylmethyl)amine(4-phenylphenyl)methylamineAR1994AKOS000131316[1,1'-Biphenyl]-4-methanamineC-biphenyl-4-yl-methylamine

데이터베이스 식별자

CAS: 712-76-5
PubChem CID: 344989
DTXSID: DTXSID60322856
ChEMBL: CHEMBL216761
EC Number: 628-115-7
Nikkaji: J1.384.688J

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 48 · 48-53 °C (lit.)
끓는 점: 138 °C · 138°C 5mm
밀도: 1.048 · 1.048±0.06 g/cm3(Predicted)
인화점: 225 °F · 225 °F
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 9.05 · 9.05±0.10(Predicted)
InChI: 1S/C13H13N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10,14H2
InChIKey: RMSPOVPGDBDYKH-UHFFFAOYSA-N
SMILES: NCc1ccc(cc1)-c2ccccc2

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29214990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도4-Phenylbenzylamine may be used in the synthesis of:squaric acid asymmetric diamides of glycopeptide antibioticsasymmetric diamides of daunomycin and carminomycinN-(biphenyl-4-ylmethyl)-1-hydroxy-6-thioxo-1,6-dihydropyridine-2-carboxamide4-Phenylbenzylamine may also be used in the synthesis of Gd3+ chelates of DOTA(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate) type ligands.