1H-인돌-3-프로필아민

1H-indole-3-propylamine

HCID 28989CAS 6245-89-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCCc1c[nH]c2ccccc12
InChIKey: OOIAXMPVZJKJHK-UHFFFAOYSA-N
분자식: C11H14N2
평균 분자량: 174.24 g/mol
단동위원소 질량: 174.11569846

이름 및 식별자

우선 이름: 1H-indole-3-propylamine
IUPAC: 3-(1H-indol-3-yl)propan-1-amine
현지명: 1H-인돌-3-프로필아민
영어명: 1H-indole-3-propylamine
분자식: C11H14N2
분자량: 174.24

이름 및 동의어

6245-89-21H-Indole-3-propanamine1H-Indole-3-propylamineEINECS 228-361-1DTXSID00211492RefChem:438739DTXCID00133983228-361-1(1H-Indol-3-yl)-1-propanamine3-(1H-indol-3-yl)propan-1-amineMFCD00130194Homotryptamine

이름 더 보기

1H-인돌-3-프로필아민N-propyl-1H-indol-3-amine1H-Indole-3-propan-1-amine

(1H-lndol-3-yl)-1-propanamine3-indol-3-ylpropylamine3-(3-aminopropyl)indole3-(Indol-3-yl)propanamineOprea1_526363SCHEMBL735189SCHEMBL50006813-(1H-indol-3-yl)propylamine

데이터베이스 식별자

CAS: 6245-89-2
PubChem CID: 28989
DTXSID: DTXSID00211492
ChEMBL: CHEMBL2229708
EC Number: 228-361-1
Nikkaji: J211.473I

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 41.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 64 °C · 64 °C
끓는 점: 353.7 · 353.7±25.0 °C(Predicted)
밀도: 1.125 · 1.125±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 17.29 · 17.29±0.30(Predicted)

화학적 성질

Light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.