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37024-73-0 molecular structure
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2-amino-2-cyclopropylpropanenitrile

ChemBase ID: 232484
Molecular Formular: C6H10N2
Molecular Mass: 110.157
Monoisotopic Mass: 110.08439833
SMILES and InChIs

SMILES:
C1(C(C#N)(N)C)CC1
Canonical SMILES:
N#CC(C1CC1)(N)C
InChI:
InChI=1S/C6H10N2/c1-6(8,4-7)5-2-3-5/h5H,2-3,8H2,1H3
InChIKey:
VGFGZZVMDIZSTI-UHFFFAOYSA-N

Cite this record

CBID:232484 http://www.chembase.cn/molecule-232484.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-2-cyclopropylpropanenitrile
IUPAC Traditional name
2-amino-2-cyclopropylpropanenitrile
Synonyms
2-amino-2-cyclopropylpropanenitrile
CAS Number
37024-73-0
MDL Number
MFCD04621701
PubChem SID
164288394
PubChem CID
3791919

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-06776 external link Add to cart Please log in.
Data Source Data ID
PubChem 3791919 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1749687  LogD (pH = 7.4) 0.1874164 
Log P 0.33577275  Molar Refractivity 31.3833 cm3
Polarizability 12.41968 Å3 Polar Surface Area 49.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.32 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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