2-cyano-N-(propan-2-yl)acetamide

HCID 735795

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Basic information

CAS: 52573-74-7
Standard SMILES: CC(C)NC(=O)CC#N
InChIKey: LOAHXFVORLJMML-UHFFFAOYSA-N
Molecular formula: C6H10N2O
Average molar mass: 126.16 g/mol
Monoisotopic mass: 126.07931294

Names & identifiers

Preferred name: 2-cyano-N-(propan-2-yl)acetamide
IUPAC: 2-cyano-N-propan-2-ylacetamide
English name: N1-Isopropyl-2-cyanoacetamide
Molecular formula: C6H10N2O
Molecular weight: 126.16

Names & synonyms

2-cyano-N-(propan-2-yl)acetamideRefChem:470705853-896-82-cyano-N-isopropylacetamide52573-74-7N1-isopropyl-2-cyanoacetamide2-cyano-N-propan-2-ylacetamide2-Cyano-N-(1-methylethyl)-acetamide2-Cyano-N-isopropyl-acetamideMFCD00828755Acetamide, 2-cyano-N-(1-methylethyl)-N-isopropylcyanoacetamide

Show more names

N-isopropyl cyanoacetamideSCHEMBL1896933RARECHEM BG FB 00982-cyano-N-(methylethyl)acetamideDTXSID80352832LOAHXFVORLJMML-UHFFFAOYSA-N2-cyano-N-propan-2-yl-ethanamideHMS1784B14

Database identifiers

CAS: 52573-74-7
PubChem CID: 735795
DTXSID: DTXSID80352832
EC Number: 853-896-8
Nikkaji: J376.449D

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 52.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 142

Physicochemical properties

Melting point: 62 °C · 62 °C
storage temp.: Store at room temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H332-H312-H315-H302-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
RIDADR: 3439 · UN3439
HazardClass: IRRITANT
HS Code: 2926907090 · 2926907090
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: UN3439
hs_code: 2926907090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H335-H332-H312-H315-H302-H319
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P