5-(3-aminopropyl)-1H-imidazol-2-amine

HCID 178510941CAS 202391-71-7
Substructure searchFind similar structures

Basic information

Standard SMILES
NCCCc1c[nH]c(N)n1
InChIKey
UEEYLEBZWQYELS-UHFFFAOYSA-N
Molecular formula
C6H12N4
Average molar mass
140.19 g/mol
Monoisotopic mass
140.1061964

Names & identifiers

Preferred name
5-(3-aminopropyl)-1H-imidazol-2-amine
IUPAC
5-(3-aminopropyl)-1H-imidazol-2-amine
English name
5-(3-Aminopropyl)-1H-imidazol-2-amine
Molecular formula
C6H12N4
Molecular weight
140.19

Names & synonyms

5-(3-aminopropyl)-1H-imidazol-2-amine202391-71-7DTXSID50445604RefChem:299640DTXCID50396425aminopropyl-2-aminoimidazoleSCHEMBL1518260CHEMBL3622404SCHEMBL125981532-Amino-1H-imidazole-5-propanamine5-(3-aminopropyl)-2-aminoimidazoleAKOS006307716
Show more names
1H-Imidazole-4-propanamine,2-amino-1H-Imidazole-5-propanamine, 2-amino-5-(3-aminopropyl)-1h-imidazol-2-amine:2-amino-1h-IMIDAZOLE-5-propanamine
G87932

Database identifiers

CAS
202391-71-7
PubChem CID
10844461

Properties

Computed structural properties

XLogP
-0.6
Topological polar surface area
80.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
10

Physicochemical properties

Melting point
213 · 213-215 °C
Boiling point
376.7 · 376.7±44.0 °C(Predicted)
Density
1.205 · 1.205
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
15.81 · 15.81±0.10(Predicted)
Symbol(GHS)
5 · GHS05,GHS07

Safety & regulation

Safety data

Signal word
Danger
Symbol(GHS)
GHS05,GHS07
Hazard statements
H302-H318
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers11 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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