1,1-디메틸프로피-3-이닐아민

3-Butyn-2-amine, 2-methyl-

HCID 76319CAS 2978-58-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C#CC(C)(C)N
InChIKey: VUGCBIWQHSRQBZ-UHFFFAOYSA-N
분자식: C5H9N
평균 분자량: 83.13 g/mol
단동위원소 질량: 83.07349929

이름 및 식별자

우선 이름: 3-Butyn-2-amine, 2-methyl-
IUPAC: 2-methylbut-3-yn-2-amine
현지명: 1,1-디메틸프로피-3-이닐아민
영어명: 1,1-Dimethylpropargylamine
분자식: C5H9N
분자량: 83.13

이름 및 동의어

2978-58-73-Butyn-2-amine, 2-methyl-1,1-Dimethylpropargylamine2-Methyl-3-butyn-2-amine1,1-DimethylpropynylamineEINECS 221-029-730-D-11EC 221-029-7DTXSID1062752RefChem:93309DTXCID20380712-Propynylamine, 1,1-dimethyl-(6CI,7CI,8CI)

이름 더 보기

1,1-디메틸프로피-3-이닐아민3-AMINO-3-METHYLBUTYNE1,1-Dimethyl-2-propynylamineGolpanol MPACBI-BB ZERO/005787TIMTEC-BB SBB000001

VUGCBIWQHSRQBZ-UHFFFAOYSA-N2-methylbut-3-yn-2-amine3-Amino-3-methyl-1-butyne1,1-Dimethylprop-2-ynylamine1,1-Dimethyl-prop-2-ynylamine1,1-Dimethylprop-3-ynylamineMFCD000080522-methylbut-3-yn-2-ylamine

데이터베이스 식별자

CAS: 2978-58-7
PubChem CID: 76319
DTXSID: DTXSID1062752
EC Number: 221-029-7
Nikkaji: J35.162H

물성

구조 계산 물성

XLogP: 0
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: 83.4

물리화학적 성질

녹는점: 18 °C · 18°C
끓는 점: 79 · 79-80 °C/760 mmHg
밀도: 0.79 g/mL · 0.79 g/mL at 25 °C
증기압: 68.7 hPa · 68.7hPa at 20℃
굴절률: 1.422 · 1.422-1.425
인화점: 2 °C · 2 °C
저장 조건: 2 · 2-8°C
물리적 상태: 액체
산도 계수 (pKa): 8.67 · 8.67±0.25(Predicted)
색상: 무색~황색으로 투명함
수용성: 물에 매우 잘 녹습니다.
InChI: 1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3
InChIKey: VUGCBIWQHSRQBZ-UHFFFAOYSA-N
SMILES: CC(C)(N)C#C
LogP: 0.26 at · 0.26 at 23℃
NIST: 3 · 3-Butyn-2-amine, 2-methyl-(2978-58-7)
EPA: 3 · 3-Butyn-2-amine, 2-methyl- (2978-58-7)

화학적 성질

Clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P342+P316, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 209 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 3-Butyn-2-amine, 2-methyl-

Status: Active Update: 29-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23290

Hazard Classes and CategoriesFlam. Liq. 2 (99.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: ER9543533
ridadr: UN 2733
독성: LD50 oral in rat: 1470mg/kg
HS 번호: 29211999
risk_code: 36/37/38-34-22-11-43
hazard_code: Xi,C,F
safety_code: 26-36/37/39-45-16
포장분류: II
위험 등급: 3.1
Hazard Classifications: Acute Tox. 4 OralFlam. Liq. 2Resp. Sens. 1Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids