2,4-디메틸-3-펜틸아민

3-Pentanamine, 2,4-dimethyl-

HCID 77702CAS 4083-57-2

기본 정보

표준 SMILES: CC(C)C(N)C(C)C
InChIKey: FATQVQVMXNESGD-UHFFFAOYSA-N
분자식: C7H17N
평균 분자량: 115.22 g/mol
단동위원소 질량: 115.13609954

개요

2,4-dimethylpentan-3-amine is a primary aliphatic amine that is pentan-3-amine substituted by methyl groups at positions 2 and 4. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

이름 및 식별자

우선 이름: 3-Pentanamine, 2,4-dimethyl-
IUPAC: 2,4-dimethylpentan-3-amine
현지명: 2,4-디메틸-3-펜틸아민
영어명: 2,4-Dimethyl-3-pentylamine; >98%discontinued
분자식: C7H17N
분자량: 115.22

이름 및 동의어

3-Pentanamine, 2,4-dimethyl-1-Isopropyl-2-methylpropylamine2,4-dimethyl-3-pentanamine2,4-DIMETHYL-3-PENTYLAMINEEINECS 223-809-2DTXSID0063288RefChem:504724DTXCID4039819223-809-22,4-dimethylpentan-3-amine4083-57-23-Amino-2,4-dimethylpentane

이름 더 보기

2,4-디메틸-3-펜틸아민>98%DISCONTINUED2,4-dimethyl-3-pentanamin2,4-Dimethylpentane-3-amine3-pentanamine,2,4-dimethyl-

(1-isopropyl-2-methylpropyl)amineMFCD000150412,4-dimethyl-3-aminopentane2,4-dimethylpent-3-ylamineSCHEMBL43238SCHEMBL1494093SCHEMBL2429976CHEBI:84245

데이터베이스 식별자

CAS: 4083-57-2
PubChem CID: 77702
DTXSID: DTXSID0063288
ChEBI: CHEBI:84245
EC Number: 223-809-2
Nikkaji: J217.890G

물성

구조 계산 물성

XLogP: 2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 49.4

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

끓는 점: 125 · 125-127°
밀도: 0.7882 · 0.7882
EPA: 3 · 3-Pentanamine, 2,4-dimethyl- (4083-57-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (66.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

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

유해성 정보

Regulatory Information2,4-Dimethyl-3-pentylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (66.7%)

안전 데이터

tsca: TSCA listed
ridadr: 2924
포장분류: II
위험 등급: 3.1

화학 및 산업

용도 및 제조

General Manufacturing Information3-Pentanamine, 2,4-dimethyl-: INACTIVE

공급사17 곳

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

济南德迈医药科技有限公司18669728830 15806766175 · [email protected]

南京世洲生物科技有限公司13675144456 · [email protected]

铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]

추가 설명

정의ChEBI: A primary aliphatic amine that is pentan-3-amine substituted by methyl groups at positions 2 and 4. Metabolite observed in cancer metabolism.