(2-Oxopropyl)amine

HCID 215CAS 298-08-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)CN
InChIKey
BCDGQXUMWHRQCB-UHFFFAOYSA-N
Molecular formula
C3H7NO
Average molar mass
73.09 g/mol
Monoisotopic mass
73.05276384

Overview

Aminoacetone is a propanone consisting of acetone having an amino group at the 1-position. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a member of propanones and a methyl ketone. It is functionally related to an acetone. It is a conjugate base of an ammonioacetone.

Names & identifiers

Preferred name
(2-Oxopropyl)amine
IUPAC
1-aminopropan-2-one
English name
1-aminopropan-2-one
Molecular formula
C3H7NO
Molecular weight
73.09

Names & synonyms

aminoacetone298-08-81-Amino-2-propanoneZB4ES38S4RCHEBI:17906DTXSID101839391-aminopropanone(2-oxopropyl)amineRefChem:557528DTXCID001064301-aminopropan-2-one1-Aminoacetone
Show more names
1-Aminopropane-2-one2-PROPANONE,1-AMINO-Export-gradeP-507extractant1-aminoacetone(SALTDATA: HCl)2-Propanone, 1-aMino-(8CI,9CI)4,4-difluoro-1,4'-bipiperidine dihydrochloride
2-Propanone, 1-amino-alpha-AminoacetoneMFCD00869738UNII-ZB4ES38S4Ramino-2-propanone2-Propanone, amino-amino-(6CI)-2-propanone.ALPHA.-AMINOACETONE

Database identifiers

CAS
298-08-8
PubChem CID
215
DTXSID
DTXSID10183939
ChEBI
CHEBI:17906
UNII
ZB4ES38S4R
EC Number
809-000-2
Nikkaji
J38.126H

Properties

Computed structural properties

XLogP
-1
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
5

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Melting point
130 · 130-131 °C
Boiling point
120.6 · 120.6±23.0 °C(Predicted)
Density
0.926 · 0.926
pka
7.41 · 7.41±0.29(Predicted)
FDA UNII
4 ES38S4R · ZB4ES38S4R
Symbol(GHS)
2 · GHS02,GHS05

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Dam. 1 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS02,GHS05
Hazard statements
H225-H318
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Pharmacology

Tissue LocationsSpleen
Cellular LocationsMitochondria
Metabolite Pathways3-Phosphoglycerate dehydrogenase deficiency

Upstream & downstream products

Suppliers39 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: A propanone consisting of acetone having an amino group at the 1-position.

Related reactions

15 records
New reaction record

Linked notes

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