CAS 35161-71-8 N-methylpropyn-2-ylamine (HCID 96160)

Names & identifiers

Preferred name: N-methylpropyn-2-ylamine
IUPAC: N-methylprop-2-yn-1-amine
English name: N-METHYLPROPARGYLAMINE
Molecular formula: C4H7N
Molecular weight: 69.11

Names & synonyms

2-Propyn-1-amine, N-methyl-N-Methylpropyn-2-ylamineNSC 56897EINECS 252-411-1DTXSID40188659NMethylpropargylamine3Methylamino1propyne2Propyn1amine, NmethylRefChem:830779DTXCID50111150252-411-1N-Methylpropargylamine

Show more names

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

Database identifiers

CAS: 35161-71-8
PubChem CID: 96160
DTXSID: DTXSID40188659
ChEMBL: CHEMBL1192210
UNII: HD3UZX22D4
EC Number: 252-411-1
Nikkaji: J142.866G

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 47.9

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic

SpringerMaterials PropertiesCoriolis coupling

Physical DescriptionClear liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Boiling point: 82 · 82-84 °C (lit.)
Density: 0.819 g/mL · 0.819 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.432(lit.)
Flash point: 33 °F · 33 °F
storage temp.: 2 · 2-8°C
pka: 7.85 · 7.85±0.10(Predicted)
form: liquid
Appearance: Colorless to light yellow Liquid
BRN: 1071242 · 1071242
InChI: 1S/C4H7N/c1-3-4-5-2/h1,5H,4H2,2H3
InChIKey: HQFYIDOMCULPIW-UHFFFAOYSA-N
SMILES: CNCC#C
NIST Chemistry Reference: 2 · 2-Propyn-1-amine, N-methyl-(35161-71-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314
Precautionary statements: 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: F,C
Risk Statements: 11 · 11-34-37
Safety Statements: 9 · 9-16-26-33-36/37/39-45
RIDADR: 2733 · UN 2733 3/PG 2
WGK Germany: 3 · 3
F: 9 · 9
HazardClass: 3.1 · 3.1
PackingGroup: II
HS Code: 29211999 · 29211999
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Skin · Flam. Liq. 2Skin Corr. 1B
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS]

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

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 9
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2733 3/PG 2
hs_code: 29211999
risk_code: 11-34-37
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C
safety_code: 9-16-26-33-36/37/39-45
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H314
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
Precautionary statements: P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications

UsesN-Methylpropargylamine is a metabolite of Pargyline. N-Methylpropargylamine, like other propynylamine, has inhibitory effect on monoamine oxidase.

Upstream & downstream products

Upstream raw materials

Phosphoric triamide, pentamethyl-2-propynyl- (9CI)2-Propen-1-amine, 2-chloro-N-methyl-Propargyl bromide Methylamine 3-Chloropropyne PROPARGYLAMINE Iodomethane Allyl bromide Sulfur dioxide

Suppliers75 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

110 records

New reaction record

HRID 4169As reactantuspto-grants-1988_02

HRID 21216As reactantuspto-grants-2010_06

HRID 114946As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 115504As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 142554As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 183555As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 195328As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 197715As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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Basic information