3-Pentanamine (HCID 12019)

개요

Pentan-3-amine is a primary aliphatic amine that is pentane substituted by an amino group at position 3. Metabolite observed in cancer metabolism. It has a role as a human metabolite. It derives from a hydride of a pentane.

이름 및 식별자

우선 이름: 3-Pentanamine
IUPAC: pentan-3-amine
현지명: 3-펜틸아민
영어명: 3-Aminopentane
분자식: C5H13N
분자량: 87.16

이름 및 동의어

3-AMINOPENTANE616-24-03-Pentanamine3-Pentylamine1-EthylpropylaminePropylamine, 1-ethyl-3N2IT605HVEINECS 210-471-6NSC 165575NSC-165575DTXSID8060662RefChem:504723

이름 더 보기

1-에틸프로필아민3-펜틸아민3-아미노펜탄3-PENTYLAMINE 98%3-Pentylamine,98%3-Aminopentane>A-ETHYLPROPYLAMINE3-AMINOPENTANE 98%

Propylamine, 1-ethyl-(8CI)DTXCID3043079pentan-3-amine1-Ethyl-propylamineMFCD00008096pent-3-ylamine3-AmylamineUNII-3N2IT605HV

데이터베이스 식별자

CAS: 616-24-0
PubChem CID: 12019
DTXSID: DTXSID8060662
ChEMBL: CHEMBL14178
ChEBI: CHEBI:84248
UNII: 3N2IT605HV
EC Number: 210-471-6
Nikkaji: J76K

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 23.1

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

녹는점: -70 °C · -70°C (estimate)
끓는 점: 89 · 89-91 °C(lit.)
밀도: 0.748 g/mL · 0.748 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4055(lit.)
인화점: 36 °F · 36 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 10.59 · 10.59(at 17℃)
물리적 상태: 액체
색상: 무색투명~미황색
수용성: 녹는
BRN: 635658 · 635658
InChI: 1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
InChIKey: PQPFFKCJENSZKL-UHFFFAOYSA-N
SMILES: CCC(N)CC
NIST: 3 · 3-Pentanamine(616-24-0)
EPA: 3 · 3-Pentanamine (616-24-0)

화학적 성질

Clear colorless to faintly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (98%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 2
HS 번호: 29211999
risk_code: 11-34-22
hazard_code: F,C
safety_code: 16-26-27-36/37/39-45
포장분류: II
위험 등급: 3
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information3-Pentanamine: ACTIVE

응용 분야 · 1건

용도1-Ethylpropylamine has been used:in the synthesis of (1-ethyl-propyl)-[3-(4-methoxy-2-methylphenyl)-2-methyl-6,7-dihydro-5H-1,4,8a-triaza-s-indacen-8-yl]-aminein the synthesis of monoclinic VPO4·H2Oas internal standard in the screening of aziridine and 2-chloroethylamine in active pharmaceutical ingredients by gas chromatography-mass spectrometry.