N,N'-디메틸-1,3-프로판디아민

N,N'-Dimethyl-1,3-propanediamine

HCID 66978

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 111-33-1
표준 SMILES: CNCCCNC
InChIKey: UQUPIHHYKUEXQD-UHFFFAOYSA-N
분자식: C5H14N2
평균 분자량: 102.18 g/mol
단동위원소 질량: 102.11569845

개요

structure in first source

이름 및 식별자

우선 이름: N,N'-Dimethyl-1,3-propanediamine
IUPAC: N,N'-dimethylpropane-1,3-diamine
현지명: N,N'-디메틸-1,3-프로판디아민
영어명: N,N'-Dimethyl-1,3-propanediamine
분자식: C5H14N2
분자량: 102.18

이름 및 동의어

111-33-1N,N'-Dimethyl-1,3-propanediamineN,N'-Dimethylpropane-1,3-diamine1,3-Propanediamine, N,N'-dimethyl-1,3-Propanediamine, N1,N3-dimethyl-DTXSID8059398RefChem:821922DTXCID3033193203-859-1N1,N3-Dimethylpropane-1,3-diamine1,3-Bis(methylamino)propanemethyl[3-(methylamino)propyl]amine

이름 더 보기

N,N'-다이메틸-1,3-프로판디아민N,N'-디메틸-1,3-프로판디아민N,N-Dimethyl-1,3-propane-1,3-propanediamineN,N'-Dimethyl-1,3-prN,N'-Dimethyl-1,3-PropanediamiN,N'-Dimethyl?L3-propanediamineN,N'-dimethyl-1,3-propyldiamineN,N'-DIMETHYLTRIMETHYLENEDIAMINE

n,n'-dimethyl-1,3-propylenediamineN1,N3-Dimethyl-1,3-propanediamine2,6-DiazaheptaneMFCD00008292CY959B4RZ2N,N'-dimethyl-1,3-propan diamineD3811D90229

데이터베이스 식별자

CAS: 111-33-1
PubChem CID: 66978
DTXSID: DTXSID8059398
ChEMBL: CHEMBL174776
UNII: CY959B4RZ2
EC Number: 203-859-1
Nikkaji: J27.959E

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 24.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 7
형식 전하: 0
복잡도: 25.3

물리화학적 성질

녹는점: -78.72 °C · -78.72°C
끓는 점: 145 °C · 145 °C(lit.)
밀도: 0.817 g/mL · 0.817 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.438(lit.)
인화점: 69 °F · 69 °F
저장 조건: -20 °C · Storage temp. -20°C
산도 계수 (pKa): 10.86 · 10.86±0.10(Predicted)
물리적 상태: 액체
색상: 무색의
수용성: 1 e+006mg/L · 물과 완전히 섞임, 1e+006mg/L @ 25°C(est).
BRN: 773668 · 773668
InChI: InChI=1S/C5H14N2/c1-6-4-3-5-7-2/h6-7H,3-5H2,1-2H3
InChIKey: UQUPIHHYKUEXQD-UHFFFAOYSA-N
SMILES: C(NC)CCNC
LogP: -0.122 · -0.122 (est)
EPA: 1 · 1,3-Propanediamine, N,N'-dimethyl- (111-33-1)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (98.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.