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5-(Aminomethyl)-1,3,5-diazaphosphinan-2-one 5-oxide

HCID 337916
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Basic information

CAS
77032-63-4
Standard SMILES
NCP1(=O)CNC(=O)NC1
InChIKey
KRZPEGFSEGLYCZ-UHFFFAOYSA-N
Molecular formula
C4H10N3O2P
Average molar mass
163.12 g/mol
Monoisotopic mass
163.05106357

Names & identifiers

Preferred name
5-(Aminomethyl)-1,3,5-diazaphosphinan-2-one 5-oxide
IUPAC
5-(aminomethyl)-5-oxo-1,3,5λ5-diazaphosphinan-2-one

Names & synonyms

5-(Aminomethyl)-1,3,5-diazaphosphinan-2-one 5-oxide77032-63-4NSC 358121DTXSID50227841RefChem:300184DTXCID00150332NSC358121NSC-358121BUD4SK8U665-(aminomethyl)-5-oxo-1,3,5$l^{5}-diazaphosphinan-2-one5-(Aminomethyl)-1,3,5lambda~5~-diazaphosphinane-2,5-dione1,3,5-Diazaphosphorin-2(1H)-one, 5-(aminomethyl)tetrahydro-, 5-oxide
Show more names
5-(aminomethyl)-5-oxo-1,3-diaza-5lambda{5}-phosphacyclohexan-2-one

Database identifiers

CAS
77032-63-4
PubChem CID
337916
DTXSID
DTXSID50227841
UNII
BUD4SK8U66

Properties

Computed structural properties

XLogP
-2.4
Topological polar surface area
84.2 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
179

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