CAS 4104-44-3 N,3-Dimethyl-1-butanamine (HCID 521020)

기본 정보

CAS: 4104-44-3
표준 SMILES: CNCCC(C)C
InChIKey: QSOCODZVGPDGDA-UHFFFAOYSA-N
분자식: C6H15N
평균 분자량: 101.19 g/mol
단동위원소 질량: 101.12044948

이름 및 식별자

우선 이름: N,3-Dimethyl-1-butanamine
IUPAC: N,3-dimethylbutan-1-amine
현지명: 메틸이소아밀아민
영어명: METHYL ISOAMYLAMINE
분자식: C6H15N
분자량: 101.19

이름 및 동의어

4104-44-3N,3-Dimethyl-1-butanamineRefChem:821502N-MethylisoamylamineN,3-dimethylbutan-1-aminemethyl(3-methylbutyl)amine1-Butanamine, N,3-dimethyl-Butylamine, N,3-dimethyl-N-Isoamyl-N-methylamineMFCD00048364MethylisoamylaminN-Methylisopentylamine

이름 더 보기

메틸이소아밀아민ISOAMYL METHYLAMINEMETHYL ISOAMYLAMINEISOPENTYL METHYLAMINE1-butanamine,N,3-dimethyl-

Methyl isopentyl amineN3-Dimethylbutan-1-aminemethyl (3-methylbutyl)amineSCHEMBL388479SCHEMBL428627N,3-Dimethyl-1-butanamine #methyl-(3-methyl-butyl)-amineSCHEMBL1488085

데이터베이스 식별자

CAS: 4104-44-3
PubChem CID: 521020
DTXSID: DTXSID00334534
EC Number: 803-807-3
Nikkaji: J99.876A

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 7
형식 전하: 0
복잡도: 33.2

실험 및 물리화학적 성질

SpringerMaterials PropertiesDensity

물리화학적 성질

끓는 점: 110 °C/112 · 110°C/112
밀도: 0.739 g/cm3 · 0.7390 g/cm3(Temp: 22 °C)
인화점: -4 °C · -4 °C
저장 조건: Keep Cold
산도 계수 (pKa): 10.89 · 10.89±0.10(Predicted)
InChI: 1S/C6H15N/c1-6(2)4-5-7-3/h6-7H,4-5H2,1-3H3
InChIKey: QSOCODZVGPDGDA-UHFFFAOYSA-N
SMILES: CNCCC(C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

안전 데이터

wgk: WGK 3
ridadr: UN3286
risk_code: 22-37/38-41-52
hazard_code: C,Xn
safety_code: 26-39
위험 등급: KEEP COLD, CORROSIVE
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids