3- (Isopropylamino) propanamide

CAT: 0127-OR1064184Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1064184Size:1 g

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CAS Number

20101-89-7

MDL Number

MFCD10686616

Purity

95%

Smiles

O=C(N)CCNC(C)C

Chemical Information

3-(Isopropylamino)propanamide

CAS Number	20101-89-7
PubChem CID	18768059
IUPAC Name	3-(propan-2-ylamino)propanamide
Molecular Formula	C6H14N2O
Molecular Weight	130.19
XLogP	-0.6
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	91

SMILES

CC(C)NCCC(=O)N

InChI

InChI=1S/C6H14N2O/c1-5(2)8-4-3-6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9)

InChIKey

ONMUOFLRUZMXGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 20101-89-7

CID: 18768059

Formula: C6H14N2O

MW: 130.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.19
XLogP3	-0.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	130.110613074
Monoisotopic Mass	130.110613074
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	91.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1048934-01	2- (Isopropylamino) -2-methyl-3- (1H-pyrazol-1-yl) propanamide
OR1064554-01	3- (Isopropylamino) propanenitrile
OR1053393-01	Ethyl 3- (isopropylamino) propanoate
PC4953	4- (Isopropylamino) -3-nitrobenzotrifluoride
OR95891-01	4- (Isopropylamino) -3-nitrobenzonitrile
OR1074183-01	3- (Methylthio) propanamide
OR17506	3- (Methylamino) propanamide
OR78425-01	3- (Diethylamino) propanamide
OR959604-01	6- (Isopropylamino) pyridine-3-carbonitrile
OR470611	3- (3-Pyridyl) propanamide

Catalog	Name
sc-310295	3- (Isopropylamino) propanamide
sc-331294	N-Ethyl-3- (isopropylamino) propanamide
sc-342134	2-chloro-N-[ (isopropylamino) carbonyl]propanamide
sc-342469A	2-chloro-N-{4-[ (isopropylamino) sulfonyl]phenyl}propanamide
429589-01	4- (Isopropylamino) benzonitrile
sc-274006	2- (Isopropylamino) acetophenone
sc-351821	Methyl (isopropylamino) acetate
sc-486349	4- (Isopropylamino) butanol
sc-310296	3- (Isopropylamino) propanohydrazide
sc-288835	3- (isopropylamino) propanenitrile