N,N-디에틸-알파,알파-디플루오로-3-메틸벤질아민

N,N-Diethyl-alpha,alpha-difluoro-3-methylbenzylamine

HCID 11820531

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 500131-50-0
표준 SMILES: CCN(CC)C(F)(F)c1cccc(C)c1
InChIKey: SGDDSVYULWVCQK-UHFFFAOYSA-N
분자식: C12H17F2N
평균 분자량: 213.27 g/mol
단동위원소 질량: 213.13290598

이름 및 식별자

우선 이름: N,N-Diethyl-alpha,alpha-difluoro-3-methylbenzylamine
IUPAC: N-[difluoro-(3-methylphenyl)methyl]-N-ethylethanamine
현지명: N,N-디에틸-알파,알파-디플루오로-3-메틸벤질아민
영어명: N,N-Diethyl-alpha,alpha-difluoro-3-methylbenzylamine
분자식: C12H17F2N
분자량: 213.27

이름 및 동의어

500131-50-0N,N-Diethyl-alpha,alpha-difluoro-3-methylbenzylamineDTXSID50473780RefChem:359071DTXCID90424594691-483-2N-[Difluoro(m-tolyl)methyl]-N-ethylethanaminen-(difluoro(m-tolyl)methyl)-n-ethylethanamineN-[difluoro-(3-methylphenyl)methyl]-N-ethylethanamineMFCD12031321[DIFLUORO(3-METHYLPHENYL)METHYL]DIETHYLAMINEC12H17F2N

이름 더 보기

N,N-디에틸-알파,알파-디플루오로-3-메틸벤질아민N,N-Diethyl-α,α-difluoro-3-ethylbenzylaMineN,N-Diethyl-α,α-difluoro-3-MethylbenzylaMineN-ethyl-N-(difluoro(m-tolyl)methyl)ethanamineN-[difluoro(3-methylphenyl)methyl]-N-ethylethanamineBenzenemethanamine, N,N-diethyl-α,α-difluoro-3-methyl-

DFMBASCHEMBL295494AC8577AKOS015838656SB78996SY263417DB-214026CS-0134186

데이터베이스 식별자

CAS: 500131-50-0
PubChem CID: 11820531
DTXSID: DTXSID50473780
EC Number: 691-483-2
Nikkaji: J1.854.049E

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 190

물리화학적 성질

끓는 점: 234 ℃ · 234℃
밀도: 1.03 · 1.030
인화점: 96 ℃ · 96℃
산도 계수 (pKa): 1.74 · 1.74±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.