기본 정보
- 표준 SMILES
C#CCNC- InChIKey
HQFYIDOMCULPIW-UHFFFAOYSA-N- 분자식
- C4H7N
- 평균 분자량
- 69.11 g/mol
- 단동위원소 질량
- 69.05784922
이름 및 식별자
- 우선 이름
- N-methylpropyn-2-ylamine
- IUPAC
- N-methylprop-2-yn-1-amine
- 영어명
- N-METHYLPROPARGYLAMINE
- 분자식
- C4H7N
- 분자량
- 69.11
이름 및 동의어
2-Propyn-1-amine, N-methyl-N-Methylpropyn-2-ylamineNSC 56897EINECS 252-411-1DTXSID40188659NMethylpropargylamine3Methylamino1propyne2Propyn1amine, NmethylRefChem:830779DTXCID50111150252-411-1N-Methylpropargylamine
이름 더 보기
Methylpropargylamine(2-Propynyl)methylamine3-MethylaMinoprop-1-yne
35161-71-8n-methylprop-2-yn-1-amineN-METHYL-N-PROP-2-YNYLAMINEN-Methyl-2-propynylamineN-Methyl-2-propyn-1-amine3-Methylamino-1-propyneMETHYL-PROP-2-YNYL-AMINEMETHYL(PROP-2-YN-1-YL)AMINE
데이터베이스 식별자
- CAS
35161-71-8- PubChem CID
- 96160
- DTXSID
DTXSID40188659- ChEMBL
CHEMBL1192210- UNII
- HD3UZX22D4
- EC Number
- 252-411-1
- Nikkaji
- J142.866G
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 47.9
실험 및 물리화학적 성질
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials PropertiesCoriolis coupling
Physical DescriptionClear liquid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 끓는 점
- 82 · 82-84 °C (lit.)
- 밀도
- 0.819 g/mL · 0.819 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.432(lit.)
- 인화점
- 33 °F · 33 °F
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 7.85 · 7.85±0.10(Predicted)
- 물리적 상태
- liquid
- BRN
- 1071242 · 1071242
- InChI
- 1S/C4H7N/c1-3-4-5-2/h1,5H,4H2,2H3
- InChIKey
- HQFYIDOMCULPIW-UHFFFAOYSA-N
- SMILES
- CNCC#C
- NIST
- 2 · 2-Propyn-1-amine, N-methyl-(35161-71-8)
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger 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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 3
- ridadr
- UN 2733 3/PG 2
- HS 번호
- 29211999
- risk_code
- 11-34-37
- hazard_code
- F,C
- safety_code
- 9-16-26-33-36/37/39-45
- 포장분류
- II
- 위험 등급
- 3.1
- F 고인화성물질
- 9
- Hazard Classifications
- Flam. Liq. 2Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도N-Methylpropargylamine is a metabolite of Pargyline. N-Methylpropargylamine, like other propynylamine, has inhibitory effect on monoamine oxidase.
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