3-(2-메틸-1H-이미다졸-1-일)프로필아민

3-(2-methyl-1H-imidazol-1-yl)propan-1-amine

HCID 3152105

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2258-21-1
표준 SMILES: Cc1nccn1CCCN
InChIKey: NDUDHWBKFFJGMA-UHFFFAOYSA-N
분자식: C7H13N3
평균 분자량: 139.2 g/mol
단동위원소 질량: 139.11094742

이름 및 식별자

우선 이름: 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine
IUPAC: 3-(2-methylimidazol-1-yl)propan-1-amine
현지명: 3-(2-메틸-1H-이미다졸-1-일)프로필아민
영어명: 3-(2-Methyl-1H-imidazol-1-yl)propylamine
분자식: C7H13N3
분자량: 139.2

이름 및 동의어

2258-21-13-(2-methyl-1H-imidazol-1-yl)propan-1-amine2-Methyl-1H-imidazole-1-propanamineDTXSID20389980RefChem:491172DTXCID90340841607-116-63-(2-methylimidazol-1-yl)propan-1-amineMFCD002724621-(3-Aminopropyl)-2-methyl-1H-imidazole3-(2-methylimidazolyl)propylamine1H-Imidazole-1-propanamine,2-methyl-

이름 더 보기

3-(2-메틸-1H-이미다졸-1-일)프로필아민RARECHEM AL BW 1148CHEMBRDG-BB 4005658TIMTEC-BB SBB0024212-methyl-1H-imidazole-1-propylamine3-(2-METHYL-IMIDAZOL-1-YL)-PROPYLAMINE3-(2-Methyl-1H-imidazol-1-yl)propylamine2-Methyl-1H-imidazole-1-propanamine, GC 97%

3-(2-Methylimidazol-1-yl)propylamineSCHEMBL137042SCHEMBL9596570HMS1697K06SBB002421STK6811111-(3-aminopropyl)-2-methylimidazoleAKOS000144854

데이터베이스 식별자

CAS: 2258-21-1
PubChem CID: 3152105
DTXSID: DTXSID20389980
EC Number: 607-116-6

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 94.9

물리화학적 성질

끓는 점: 110 · 110-112 °C(Press: 2-3 Torr)
밀도: 1.028 g/mL · 1.028 g/mL at 25 °C
굴절률: 20 · n20/D1.517
인화점: 110 ℃ · >110℃
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: liquid
산도 계수 (pKa): 10.04 · 10.04±0.10(Predicted)
InChI: 1S/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3
InChIKey: NDUDHWBKFFJGMA-UHFFFAOYSA-N
SMILES: Cc1nccn1CCCN

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.