3-아미노-1-디페닐메틸아제티딘

3-Amino-1-(diphenylmethyl)azetidine

HCID 5744546CAS 40432-52-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N
분자식: C16H18N2
평균 분자량: 238.33 g/mol
단동위원소 질량: 238.14699858

이름 및 식별자

우선 이름: 3-Amino-1-(diphenylmethyl)azetidine
IUPAC: 1-benzhydrylazetidin-3-amine
현지명: 3-아미노-1-디페닐메틸아제티딘
영어명: 3-Amino-1-diphenylmethylazetidine
분자식: C16H18N2
분자량: 238.33

이름 및 동의어

3-AMINO-1-(DIPHENYLMETHYL)AZETIDINE1-(diphenylmethyl)-3-azetidinamineRefChem:496764640-915-81-benzhydrylazetidin-3-amine40432-52-83-amino-1-diphenylmethylazetidine1-(diphenylmethyl)azetidin-3-amine1-benzhydryl-3-aminoazetidineMFCD030933861-benzhydryl-azetidin-3-ylamine852655-92-6

이름 더 보기

3-아미노-1-디페닐메틸아제티딘Compound FL0008BUTTPARK 92\50-953-amino-1-benzhylazetidine3-Amino-1-(diphenylmethyl...3-AMINO-1-BENZHYDRYLAZETIDINE3-Amino-1-Diphenylmethylazetid1-Benzhydrylazetidin-3-amine 97%

3-Azetidinamine, 1-(diphenylmethyl)-1-benzhydryl-3-azetanamineSCHEMBL724661-benzhydrylazetidin-3-ylamine3-amino-1-benzhydryl azetidineorb3169848SCHEMBL5695024DTXSID40960831

데이터베이스 식별자

CAS: 40432-52-8
PubChem CID: 5744546
DTXSID: DTXSID40960831
EC Number: 640-915-8
Nikkaji: J2.411.778B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 18
형식 전하: 0
복잡도: 230

물리화학적 성질

녹는점: 63 °C · 63 °C
끓는 점: 339.2 · 339.2±42.0 °C(Predicted)
밀도: 1.125 · 1.125±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 8.48 · 8.48±0.20(Predicted)
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2
InChIKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N
SMILES: N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(N)C1

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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.