General Information of the Compound
| Compound ID |
CP0326412
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| Compound Name |
CHEBI:27413
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| Synonyms |
(C11-C13)Branched alkyl aminoethylenenitrile
(C12-C18)Alkyl alkoxyethyleneaminonitrile
151-18-8
2-Cyanoethylamine
3-Aminopropanenitrile
3-Aminopropanitrile
3-Aminopropionitrile
3-Aminopropionitrile stabilized with K2CO3
3-Aminopropionitrile, 98%, stabilized
3-Aminopropiononitrile
3-amino-propionitrile
3-amino-propionitrile, AldrichCPR
3-aminopropanonitrile
3-aminopropionitrile
38D5LJ4KH2
68130-65-4
68130-66-5
97104-EP2298731A1
97104-EP2305660A1
A0408
ACMC-1B8B9
AGSPXMVUFBBBMO-UHFFFAOYSA-
AKOS000121388
ANW-43145
Aminopropionitrile
BAPN
BBL101609
BDBM50232678
BETA-AMINOPROPIONITRILE
BRN 1698848
Beta-aminopropionitrile
C(#N)CC[N]
C05670
CCRIS 8134
CHEBI:27413
CHEMBL1618272
CS-D1507
DTXSID6048418
EINECS 205-786-0
EINECS 268-598-8
FT-0615060
H2NCH2CH2CN
HSDB 2897
HY-Y1750
Lopac-A-3134
Lopac0_000055
MFCD00014820
N-(2-Cyanoethyl)amine
NCGC00015048-01
NCGC00015048-02
NCGC00015048-03
NCGC00015048-05
NCGC00162054-01
NSC 40641
NSC-40641
NSC40641
Propanenitrile, 3-amino-
Propanenitrile, 3-amino-, N-(3-(C12-18-alkyloxy)propyl) derivsPropanenitrile, 3-amino-, N-C11-13-isoalkyl derivsPropionitrile, 3-amino-
PubChem19134
Q3614347
SODIUMBITARTRATE,MONOHYDRATE
STL555405
STR02529
UNII-38D5LJ4KH2
W-109080
WLN: Z2CN
ZINC1530259
aminoethylcyanide
b-Alaminenitrile
b-Alaninenitrile
b-Aminoethyl cyanide
b-Cyanoethylamine
beta-Alaminenitrile
beta-Alaninenitrile
beta-Aminoethyl cyanide
beta-Aminopropionitrile
beta-Cyanoethylamine
beta-amino propionitrile
beta-amino-propionitrile
cyanoethylamine
n-(2-cyanoethyl)amine
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| Structure |
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| Formula |
C3H6N2
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| Molecular Weight |
70.095
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| Canonical SMILES |
NCCC#N
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| InChI |
InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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| InChIKey |
AGSPXMVUFBBBMO-UHFFFAOYSA-N
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| CAS |
151-18-8
60585-38-8
68130-65-4
68130-66-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04868, Lysyl oxidase homolog 2
Cell-based Assay
Protein ID: PT06007, Lysyl oxidase homolog 2
Protein ID: PT06612, Lysyl oxidase homolog 2
Protein ID: PT05466, Lysyl oxidase homolog 3
Protein ID: PT05764, Protein-lysine 6-oxidase
Clinical Information about the Compound