2-(2-Aminoethylamino)-5-nitropyridine

HCID 122425CAS 29602-39-9

기본 정보

표준 SMILES: NCCNc1ccc([N+](=O)[O-])cn1
InChIKey: ODHSPTHLPCXPTL-UHFFFAOYSA-N
분자식: C7H10N4O2
평균 분자량: 182.18 g/mol
단동위원소 질량: 182.08037556

이름 및 식별자

우선 이름: 2-(2-Aminoethylamino)-5-nitropyridine
IUPAC: N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
영어명: 2-(2-AMINOETHYLAMINO)-5-NITROPYRIDINE
분자식: C7H10N4O2
분자량: 182.18

이름 및 동의어

2-(2-Aminoethylamino)-5-nitropyridineRefChem:53741229602-39-9N1-(5-nitropyridin-2-yl)ethane-1,2-diamineN'-(5-nitropyridin-2-yl)ethane-1,2-diamine5-Nitro-2-pyridylaminoethyl-2-amine1,2-Ethanediamine, N1-(5-nitro-2-pyridinyl)-n-(5-nitropyridin-2-yl)ethane-1,2-diamine2-[(2-Aminoethyl)amino]-5-nitropyridine(2-aminoethyl)(5-nitro(2-pyridyl))amineEINECS 249-721-4MFCD00006254

이름 더 보기

TIMTEC-BB SBB000234N-(5-Nitro-2-pyridyl)ethylenediamineN1-(5-Nitropyrid-2-yl)ethane-1,2-diamine2-(2-AMINOETHYLAMINO)-5-NITROPYRIDINE 98%2-(2-AMINOETHYLAMINO)-5-NITROPYRIDINE, 9 8%N-(5-Nitro-2-pyridyl)-1,2-ethanediamine, 99%

1,2-Ethanediamine, N-(5-nitro-2-pyridinyl)-SCHEMBL1146057SCHEMBL6162165SCHEMBL7017026SCHEMBL8539294SCHEMBL30014816DTXSID40183785SBB000234

데이터베이스 식별자

CAS: 29602-39-9
PubChem CID: 122425
DTXSID: DTXSID40183785
EC Number: 249-721-4
Nikkaji: J143.878F

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 96.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 126 · 126-128 °C(lit.)
끓는 점: 315.57 °C · 315.57°C (rough estimate)
밀도: 1.3129 · 1.3129 (rough estimate)
굴절률: 1.67 · 1.6700 (estimate)
산도 계수 (pKa): 9 · 9.00±0.10(Predicted)
InChI: 1S/C7H10N4O2/c8-3-4-9-7-2-1-6(5-10-7)11(12)13/h1-2,5H,3-4,8H2,(H,9,10)
InChIKey: ODHSPTHLPCXPTL-UHFFFAOYSA-N
SMILES: NCCNc1ccc(cn1)[N+]([O-])=O

화학적 성질

YELLOW TO BROWN CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (90.7%): 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.