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72-40-2 molecular structure
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N-(4-amino-1H-imidazol-5-yl)formamide hydrochloride

ChemBase ID: 70136
Molecular Formular: C4H7ClN4O
Molecular Mass: 162.57758
Monoisotopic Mass: 162.03083854
SMILES and InChIs

SMILES:
c1nc(c([nH]1)NC=O)N.Cl
Canonical SMILES:
Nc1nc[nH]c1NC=O.Cl
InChI:
InChI=1S/C4H6N4O.ClH/c5-3-4(8-2-9)7-1-6-3;/h1-2H,5H2,(H,6,7)(H,8,9);1H
InChIKey:
OMBFSWLSTWHYDW-UHFFFAOYSA-N

Cite this record

CBID:70136 http://www.chembase.cn/molecule-70136.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(4-amino-1H-imidazol-5-yl)formamide hydrochloride
IUPAC Traditional name
N-(5-amino-3H-imidazol-4-yl)formamide hydrochloride
Synonyms
4-Amino-5-carboxamidoimidazole hydrochloride
CAS Number
72-40-2
PubChem SID
162035861
PubChem CID
55254917

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
075662 external link Add to cart Please log in.
Data Source Data ID
PubChem 55254917 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.262812  H Acceptors
H Donor LogD (pH = 5.5) -1.681325 
LogD (pH = 7.4) -1.1211252  Log P -1.10139 
Molar Refractivity 33.6525 cm3 Polarizability 11.420239 Å3
Polar Surface Area 83.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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