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16014-63-4 molecular structure
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2-amino-2-carbamimidoylacetamide

ChemBase ID: 804027
Molecular Formular: C3H8N4O
Molecular Mass: 116.12182
Monoisotopic Mass: 116.0698109
SMILES and InChIs

SMILES:
C(C(=O)N)(N)C(=N)N
Canonical SMILES:
NC(C(=O)N)C(=N)N
InChI:
InChI=1S/C3H8N4O/c4-1(2(5)6)3(7)8/h1H,4H2,(H3,5,6)(H2,7,8)
InChIKey:
UDMVDBBCSGOEFJ-UHFFFAOYSA-N

Cite this record

CBID:804027 http://www.chembase.cn/molecule-804027.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-2-carbamimidoylacetamide
IUPAC Traditional name
2-amino-2-carbamimidoylacetamide
Synonyms
2-AMIDINO-2-AMINOACETAMIDE
CAS Number
16014-63-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20812 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20812 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.8066225  H Acceptors
H Donor LogD (pH = 5.5) -5.2080197 
LogD (pH = 7.4) -4.726255  Log P -2.6972146 
Molar Refractivity 38.222 cm3 Polarizability 10.928402 Å3
Polar Surface Area 118.98 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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