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162254288 molecular structure
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1-amino(13C)guanidine; carbonic acid

ChemBase ID: 160153
Molecular Formular: C2H8N4O3
Molecular Mass: 137.10257484
Monoisotopic Mass: 137.06299497
SMILES and InChIs

SMILES:
N[13C](=N)NN.C(=O)(O)O
Canonical SMILES:
OC(=O)O.NN[13C](=N)N
InChI:
InChI=1S/CH6N4.CH2O3/c2-1(3)5-4;2-1(3)4/h4H2,(H4,2,3,5);(H2,2,3,4)/i1+1;
InChIKey:
OTXHZHQQWQTQMW-YTBWXGASSA-N

Cite this record

CBID:160153 http://www.chembase.cn/molecule-160153.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-amino(13C)guanidine; carbonic acid
IUPAC Traditional name
1-amino(13C)guanidine; soda
Synonyms
Guanylhydrazine-13C Bicarbonate
Monoaminoguanidine-13C Bicarbonate
Pimagedine-13C Bicarbonate
Aminoguanidine-13C Bicarbonate
PubChem SID
162254288
PubChem CID
71313258

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC A609847 external link Add to cart
PubChem 71313258 external link
Data Source Data ID Price
TRC
A609847 external link Add to cart Please log in.
Data Source Data ID
PubChem 71313258 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.9215941  LogD (pH = 7.4) -3.8816965 
Log P -1.4684814  Molar Refractivity 40.8357 cm3
Polarizability 7.0459237 Å3 Polar Surface Area 87.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
176-180°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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