2-아미노-5-메틸헥산

5-Methyl-2-hexylamine

HCID 34204CAS 28292-43-5

부분 구조 검색 유사 구조 찾기

기본 정보

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

이름 및 식별자

우선 이름: 5-Methyl-2-hexylamine
IUPAC: 5-methylhexan-2-amine
현지명: 2-아미노-5-메틸헥산
영어명: 2-Amino-5-methylhexane
분자식: C7H17N
분자량: 115.22

이름 및 동의어

2-Amino-5-methylhexane1,4-Dimethylpentylamine2-Hexanamine, 5-methyl-5-Methyl-2-hexylaminePENTYLAMINE, 1,4-DIMETHYL-EINECS 248-941-8RJ36ZF28PWNSC 73708BRN 1731716NSC-73708DTXSID60885416RefChem:537014

이름 더 보기

2-아미노-5-메틸헥산2-aminoisoheptane5-methyl-2-heTIMTEC-BB SBB008544RARECHEM AN KC 02285-methyl-2-hexanaminN N-DIMETHYLAMYLAMINE

DTXCID601019527(+-)-2-AMINO-5-METHYLHEXANE248-941-828292-43-55-methylhexan-2-amineMFCD000148135-methyl-2-hexanamine(2S)-5-methylhexan-2-amine

데이터베이스 식별자

CAS: 28292-43-5
PubChem CID: 34204
DTXSID: DTXSID60885416
UNII: RJ36ZF28PW
EC Number: 248-941-8
Nikkaji: J49.980C

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 8
형식 전하: 0
복잡도: 50.3

실험 및 물리화학적 성질

DrugsDEA NFLIS-Drug Category -> Stimulants

물리화학적 성질

녹는점: -19 °C · -19°C (estimate)
끓는 점: 128 · 128-129 °C (lit.)
밀도: 0.76 g/mL · 0.760 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.416
인화점: 28 °C · 28°C
물리적 상태: liquid
산도 계수 (pKa): 10.98 · 10.98±0.35(Predicted)
BRN: 1731716 · 1731716
InChI: InChI=1S/C7H17N/c1-6(2)4-5-7(3)8/h6-7H,4-5,8H2,1-3H3
InChIKey: IZCBXLKODYZSDJ-UHFFFAOYSA-N
SMILES: CC(N)CCC(C)C
NIST: 2 · 2-Hexanamine, 5-methyl-(28292-43-5)
EPA: 2 · 2-Hexanamine, 5-methyl- (28292-43-5)

화학적 성질

Colourless Oil

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

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

Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: SC0875000
ridadr: UN 2734 8/PG 2
risk_code: 10-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 3
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Hexanamine, 5-methyl-: ACTIVE

응용 분야

용도2-Amino-5-methylhexane is an aliphatic amine used in the preparation of pyridines and other cyclic nitrogen based compounds for use ranging from antiparasitics to calcium channel inhibitors.

상·하류 제품 정보

상류 원료

2-Hexanamine, N-(1,4-dimethylpentyl)-5-methyl-5-메탄올-2-헥사놀 메틸이소아밀케톤 4-메틸팔레르산

공급사50 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

郑州格镭生物科技有限公司19903857099; 19937938981

湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Hebei shuoxi biotechnology co. LTD+8613081092107

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