1,2-디메틸프로필아민

1,2-Dimethylpropylamine

HCID 11731CAS 598-74-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)C(C)N
InChIKey: JOZZAIIGWFLONA-UHFFFAOYSA-N
분자식: C5H13N
평균 분자량: 87.16 g/mol
단동위원소 질량: 87.10479942

이름 및 식별자

우선 이름: 1,2-Dimethylpropylamine
IUPAC: 3-methylbutan-2-amine
현지명: 1,2-디메틸프로필아민
영어명: 1,2-Dimethylpropylamine
분자식: C5H13N
분자량: 87.16

이름 및 동의어

1,2-Dimethylpropylamine598-74-33-Methyl-2-butanamine2-Butanamine, 3-methyl-1,2-Dimethylpropanamineiso-AmylaminePROPYLAMINE, 1,2-DIMETHYL-3-Methyl-2-butylamineBRN 0635656EINECS 209-949-71P7J19TM9E3-Methyl-2-aminobutane

이름 더 보기

1,2-디메틸프로필아민2-아미노-3-메틸부탄아이소아밀아민3-methyl-2-butanamin2-AMINO-3-METHYLBUTANE3-Amino-2-methylbutane3-Methylbutane-2-amine1,2 Dimethylpropylamme1,2-dimethyl-propylamin

2-04-00-00644 (Beilstein Handbook Reference)J71.080FDTXSID4022074RefChem:411794DTXCID902074(+-)-3-METHYL-2-BUTANAMINE(+-)-3-METHYL-2-BUTYLAMINE209-949-7

데이터베이스 식별자

CAS: 598-74-3
PubChem CID: 11731
DTXSID: DTXSID4022074
UNII: 1P7J19TM9E
EC Number: 209-949-7
Nikkaji: J71.080F

물성

구조 계산 물성

XLogP: 1
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 32.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: -50 °C · -50 °C (lit.)
끓는 점: 84 · 84-87 °C (lit.)
밀도: 0.757 g/mL · 0.757 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4055(lit.)
인화점: 18 °F · −18 °F
저장 조건: 2 · 2-8°C, sealed storage, away from moisture and light
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 10.8 · 10.80±0.10(Predicted)
색상: 무색
BRN: 635656 · 635656
Henry's Law Constant: 4 · 4.0×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
InChIKey: JOZZAIIGWFLONA-UHFFFAOYSA-N
SMILES: CC(N)C(C)C
NIST: 2 · 2-Butanamine, 3-methyl-(598-74-3)
EPA: 3 · 3-Methyl-2-butanamine (598-74-3)

화학적 성질

White powder solid

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, P260, P261, P262, 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, P361+P364, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

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

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UI1100000
ridadr: UN 3286 3/PG 2
독성: LD50 ipr-mus: 279 mg/kg JJPAAZ 17,475,67
HS 번호: 2921199990
risk_code: 11-21/22-34
hazard_code: F,C
safety_code: 16-26-27-36/37/39-45
포장분류: II
위험 등급: 3

화학 및 산업

용도 및 제조

General Manufacturing Information2-Butanamine, 3-methyl-: ACTIVE

응용 분야

용도1,2-Dimethylpropylamine was used as standard in separation of alkali and alkaline earth metal cations by capillary electrochromatography on monolithic octadecylsilica columns.