4-Pyridineethanamine

HCID 83275CAS 13258-63-4

기본 정보

표준 SMILES: NCCc1ccncc1
InChIKey: IDLHTECVNDEOIY-UHFFFAOYSA-N
분자식: C7H10N2
평균 분자량: 122.17 g/mol
단동위원소 질량: 122.08439832

이름 및 식별자

우선 이름: 4-Pyridineethanamine
IUPAC: 2-pyridin-4-ylethanamine
영어명: 4-(2-Aminoethyl)pyridine
분자식: C7H10N2
분자량: 122.17

이름 및 동의어

4-(2-Aminoethyl)pyridine4-Pyridineethanamine2-(4-Pyridyl)ethylamine2-(pyridin-4-yl)ethanamine2-(4-pyridyl)ethanamineJ9DW3V2TJD2-(4-pyridinyl)ethylamine4-pyridylethylamineUNII-J9DW3V2TJDNSC 194298NSC-1942982-(pyridine-4-yl)ethanamine

이름 더 보기

2-(pyridin-4-yl)ethan-1-aMineRARECHEM AN KA 01624-PyridineethylaminePyridine-4-ethanamine2-PYRIDIN-4-YLETHANAMINE

DTXSID20653892-(.GAMMA.-PYRIDYL)ETHYLAMINE4-(.BETA.-AMINOETHYL)PYRIDINEPYRIDINE, 4-(2-AMINOETHYL)-RefChem:100449DTXCID40341062-(GAMMA-PYRIDYL)ETHYLAMINE4-(BETA-AMINOETHYL)PYRIDINE

데이터베이스 식별자

CAS: 13258-63-4
PubChem CID: 83275
DTXSID: DTXSID2065389
ChEMBL: CHEMBL4088360
UNII: J9DW3V2TJD
EC Number: 625-467-3
Nikkaji: J421.876K

물성

구조 계산 물성

XLogP: 0
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 67.3

물리화학적 성질

녹는점: 115 · 115-116 °C
끓는 점: 104 °C/9 · 104 °C/9 mmHg (lit.)
밀도: 1.0238 g/mL · 1.0238 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5380(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 9.07 · 9.07±0.10(Predicted)
색상: Colorless to Light yellow to Light orange
Specific Gravity: 1.03 · 1.03
InChI: InChI=1S/C7H10N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1,4,8H2
InChIKey: IDLHTECVNDEOIY-UHFFFAOYSA-N
SMILES: C1=NC=CC(CCN)=C1
NIST: 4 · 4-(2-Aminoethyl)pyridine(13258-63-4)
EPA: 4 · 4-Pyridineethanamine (13258-63-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (16%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.