N-(2-Hydroxyethyl)-N-methylguanidine

Substructure search Find similar structures

Basic information

CAS: 13429-32-8
Standard SMILES: CN(CCO)C(=N)N
InChIKey: ORTUDDOFSUHQKZ-UHFFFAOYSA-N
Molecular formula: C4H11N3O
Average molar mass: 117.15 g/mol
Monoisotopic mass: 117.09021198

Names & identifiers

Preferred name: N-(2-Hydroxyethyl)-N-methylguanidine
IUPAC: 1-(2-hydroxyethyl)-1-methylguanidine
English name: N-(2-hydroxyethyl)-N-methylguanidine
Molecular formula: C4H11N3O
Molecular weight: 117.14964

Names & synonyms

N-(2-Hydroxyethyl)-N-methylguanidine13429-32-8EINECS 236-551-0DTXSID40158630RefChem:161769DTXCID6081121236-551-01-(2-hydroxyethyl)-1-methylguanidineCreatinolSCHEMBL670349925C64YLH2AKOS006221414

Show more names

Guanidine, N-(2-hydroxyethyl)-N-methyl-

1-(2-hydroxy-ethyl)-1-methyl guanidineNS00024336

Database identifiers

CAS: 13429-32-8
PubChem CID: 83440
DTXSID: DTXSID40158630
UNII: 925C64YLH2
EC Number: 236-551-0
Nikkaji: J14.721D

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 73.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 83.4

Related reactions

4 records

New reaction record

HRID 1454014As reactantuspto-grants-2009_01

HRID 1454015As reactantuspto-grants-2009_01

HRID 1454016As reactantuspto-grants-2009_01

HRID 1454017As reactantuspto-grants-2009_01

Compound notes

Loading…