1,2-Ethanediamine, N1-phenyl-

HCID 74270CAS 1664-40-0

기본 정보

표준 SMILES: NCCNc1ccccc1
InChIKey: OCIDXARMXNJACB-UHFFFAOYSA-N
분자식: C8H12N2
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.10004838

이름 및 식별자

우선 이름: 1,2-Ethanediamine, N1-phenyl-
IUPAC: N'-phenylethane-1,2-diamine
영어명: N-PHENYLETHYLENEDIAMINE
분자식: C8H12N2
분자량: 136.19

이름 및 동의어

N-Phenylethylenediamine1664-40-0N-(2-Aminoethyl)anilineEthylenediamine, N-phenyl-1,2-Ethanediamine, N-phenyl-N-Phenyl-1,2-ethanediamine1,2-Ethanediamine, N1-phenyl-Benzenamine, N-(2-aminoethyl)-NSC 84247EINECS 216-773-4DTXSID1061861RefChem:411971

이름 더 보기

RARECHEM AL BW 1149TIMTEC-BB SBB004200N-PhenylethyldiamineN-PHENYLETHYLENEDIAMn-phenyl-2-ethanediamineRivaroxaban Impurity 2722-(Phenylamino)ethanamine

DTXCID8035344Ethylenediamine, N-phenyl-(8CI)216-773-4N1-Phenylethane-1,2-diamineN'-phenylethane-1,2-diamineMFCD00008162N-phenylethane-1,2-diaminen1-phenyl-1,2-ethanediamine

데이터베이스 식별자

CAS: 1664-40-0
PubChem CID: 74270
DTXSID: DTXSID1061861
EC Number: 216-773-4
Nikkaji: J141D

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 77.3

물리화학적 성질

녹는점: 183 · 183-186 °C
끓는 점: 262 · 262-264 °C (lit.)
밀도: 1.041 g/mL · 1.041 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.587(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.8 · 8.80±0.10(Predicted)
물리적 상태: 액체
색상: 맑은 노란색
BRN: 508205 · 508205
InChI: 1S/C8H12N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
InChIKey: OCIDXARMXNJACB-UHFFFAOYSA-N
SMILES: NCCNc1ccccc1
EPA: 1 · 1,2-Ethanediamine, N-phenyl- (1664-40-0)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.