Nifedipine Impurity 21

CAT: 1596-AR-N08663-01Size: 10 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-N08663-01Size:10 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

41867-20-3

Molecular Formula

C9H7D4N3O

Molecular Weight

129.16

API Name

Nifedipine

Chemical Information

Ethyl 3-aminocrotonate

See also: 2-Butenoic acid, 3-amino-, ethyl ester (annotation moved to).

CAS Number	41867-20-3
PubChem CID	637551
IUPAC Name	ethyl (E)-3-aminobut-2-enoate
Molecular Formula	C6H11NO2
Molecular Weight	129.16
XLogP	1
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	129

SMILES

CCOC(=O)/C=C(\C)/N

InChI

InChI=1S/C6H11NO2/c1-3-9-6(8)4-5(2)7/h4H,3,7H2,1-2H3/b5-4+

InChIKey

YPMPTULBFPFSEQ-SNAWJCMRSA-N

Chemical Structure

2D Structure

CAS: 41867-20-3

CID: 637551

Formula: C6H11NO2

MW: 129.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	129.16
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	129.078978594
Monoisotopic Mass	129.078978594
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	129
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
007819-01	Dehydro Nifedipine (Nifedipine EP Impurity A)
RM-N060443-01	Nifedipine Impurity 43
RM-N060440-01	Nifedipine Impurity 40
RM-N060429-01	Nifedipine Impurity 3
RM-N060434-01	Nifedipine Impurity 8
RM-N060448-01	Nifedipine Impurity 48
RM-N060452-01	Nifedipine Impurity 52
RM-N060453-01	Nifedipine Impurity 53
RM-N060437-01	Nifedipine Impurity 11
RM-N060472-01	Nifedipine Impurity 72