N-벤질-2-페닐에틸아민

N-Benzylphenethylamine

HCID 65055CAS 3647-71-0

기본 정보

표준 SMILES: c1ccc(CCNCc2ccccc2)cc1
InChIKey: UPABQMWFWCMOFV-UHFFFAOYSA-N
분자식: C15H17N
평균 분자량: 211.3 g/mol
단동위원소 질량: 211.13609954

개요

Benethamine is an aromatic amine that is 2-phenylethanamine in which one of the hydrogens attached to the amino group is substituted by a benzyl group.

이름 및 식별자

우선 이름: N-Benzylphenethylamine
IUPAC: N-benzyl-2-phenylethanamine
현지명: N-벤질-2-페닐에틸아민
영어명: N-Benzyl-2-phenylethylamine
분자식: C15H17N
분자량: 211.3

이름 및 동의어

N-Benzyl-2-phenylethanamineBenethamineN-Benzyl-2-phenethylamineN-BenzylphenethylamineBenzeneethanamine, N-(phenylmethyl)-N-(phenylmethyl)benzeneethanaminen-benzyl-1-phenethylamineN-phenethylbenzylamineN-BENZYLBENZENEETHANAMINE90J4SPI061EINECS 222-882-8NSC-62943

이름 더 보기

N-벤질-2-페닐에틸아민N-benzyl-2-phenylethan-1-amineCBI-BB ZERO/001789TIMTEC-BB SBB000516BenzylphenethylaminePhenethylbenzylamineN-BENZYL-2-PHENETYLAMINE

CHEBI:52148DTXSID20189982NSC 62943NSC-162943RefChem:829279DTXCID80112473222-882-83647-71-0

데이터베이스 식별자

CAS: 3647-71-0
PubChem CID: 65055
DTXSID: DTXSID20189982
ChEMBL: CHEMBL1618762
ChEBI: CHEBI:52148
UNII: 90J4SPI061
EC Number: 222-882-8
Nikkaji: J150.076G

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 16
형식 전하: 0
복잡도: 166

물리화학적 성질

녹는점: 61 · 61-64 °C
끓는 점: 327 · 327-328 °C750 mm Hg(lit.)
밀도: 1.007 g/mL · 1.007 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.566(lit.)
인화점: 230 °F · >230 °F
산도 계수 (pKa): 9.36 · 9.36±0.19(Predicted)
InChI: 1S/C15H17N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKey: UPABQMWFWCMOFV-UHFFFAOYSA-N
SMILES: C(Cc1ccccc1)NCc2ccccc2

화학적 성질

Clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (95.6%): 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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 03-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16726

Benzeneethanamine, N-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (95.6%)

안전 데이터

wgk: 3
HS 번호: 2921490090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도N-Benzyl-2-phenethylamine has been used in synthesis of dithiocarbamates.

상·하류 제품 정보

상류 원료

공급사37 곳

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Syntechem Co.,Ltd[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

추가 설명

정의ChEBI: An aromatic amine that is 2-phenylethanamine in which one of the hydrogens attached to the amino group is substituted by a benzyl group.

연결된 노트

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