이소프로필에틸렌디아민(엔-)

N-Isopropylethylenediamine

HCID 88098

기본 정보

CAS: 19522-67-9
표준 SMILES: CC(C)NCCN
InChIKey: KDRUIMNNZBMLJR-UHFFFAOYSA-N
분자식: C5H14N2
평균 분자량: 102.18 g/mol
단동위원소 질량: 102.11569845

개요

2-isopropylaminoethylamine is a primary aliphatic amine that is ethane-1,2-diamine substituted by an isopropyl group at the N atom. It has a role as a human metabolite. It is a primary aliphatic amine and a secondary aliphatic amine.

이름 및 식별자

우선 이름: N-Isopropylethylenediamine
IUPAC: N'-propan-2-ylethane-1,2-diamine
현지명: 이소프로필에틸렌디아민(엔-)
영어명: N-Isopropylethylenediamine
분자식: C5H14N2
분자량: 102.18

이름 및 동의어

N-Isopropylethylenediamine2-IsopropylaminoethylamineEINECS 243-125-8NSC 842301,2-Ethanediamine, N1-(1-methylethyl)-DTXSID8066505CHEBI:84288N-(propan-2-yl)ethane-1,2-diamineRefChem:163625DTXCID2036114243-125-8KDRUIMNNZBMLJR-UHFFFAOYSA-N

이름 더 보기

이소프로필에틸렌디아민(엔-)N-아이소프로필에틸렌다이아민RARECHEM AL BW 2006N-Isopropylethylediamine2-(ISOPROPYLAMINO)ETHYLAMINE2-aminoethyl-isopropyl-amineN-Isopropyl-1,2-ethanediamine

19522-67-9N1-isopropylethane-1,2-diamine(2-Aminoethyl)(Propan-2-Yl)AmineIsopropylaminoethylamine1,2-Ethanediamine, N-(1-methylethyl)-N'-propan-2-ylethane-1,2-diamineEthylenediamine, N-isopropyl-N-Isopropylethane-1,2-diamine

데이터베이스 식별자

CAS: 19522-67-9
PubChem CID: 88098
DTXSID: DTXSID8066505
ChEBI: CHEBI:84288
EC Number: 243-125-8
Nikkaji: J150.020A

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 7
형식 전하: 0
복잡도: 35.1

물리화학적 성질

녹는점: -30.89 °C · -30.89°C (estimate)
끓는 점: 135 · 135-137 °C
밀도: 0.819 g/mL · 0.819 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.436(lit.)
인화점: 43 °F · 43 °F
저장 조건: Flammables area
산도 계수 (pKa): 10.08 · 10.08±0.29(Predicted)
물리적 상태: 투명한 액체
색상: 무색 내지 거의 무색
Specific Gravity: 0.819 · 0.819
BRN: 1732183 · 1732183
InChI: 1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3
InChIKey: KDRUIMNNZBMLJR-UHFFFAOYSA-N
SMILES: CC(C)NCCN
NIST: N-isopropylethylenediamine(19522-67-9)
EPA: 1 · 1,2-Ethanediamine, N-(1-methylethyl)- (19522-67-9)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (90.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.