Molsidomine Impurity 1

CAT: 1596-AR-M05039-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M05039-01Size:10 Units

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CAS Number

16142-26-0

Synonyms

2- (morpholinoamino) acetonitrile

Molecular Formula

C6H11N3O

Molecular Weight

141.17

API Name

Molsidomine

Chemical Information

Acetonitrile, (4-morpholinylamino)

CAS Number	16142-26-0
PubChem CID	9793806
IUPAC Name	2-(morpholin-4-ylamino)acetonitrile
Molecular Formula	C6H11N3O
Molecular Weight	141.17
XLogP	-0.6
Topological Polar Surface Area	48.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	133

SMILES

C1COCCN1NCC#N

InChI

InChI=1S/C6H11N3O/c7-1-2-8-9-3-5-10-6-4-9/h8H,2-6H2

InChIKey

HJVLTFLBYATIHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16142-26-0

CID: 9793806

Formula: C6H11N3O

MW: 141.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.17
XLogP3	-0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	141.090211983
Monoisotopic Mass	141.090211983
Topological Polar Surface Area	48.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
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
AR-M02163-01	Molsidomine Impurity A
AR-M02164-01	Molsidomine Impurity C
AR-M02162-01	Molsidomine
AR-N08007-01	Molsidomine EP Impurity B (N-Nitrosomorpholine)
AR-M05038-01	Molsidomine-15N3
AR-M05040-01	Molsidomine-d5
AR-N01491-01	Nifedipine Impurity 1 (Benidipine Impurity 5)
AR-B01168-01	Benidipine Impurity 5 (Nifedipine Impurity 1)
AR-E10592-01	MTBE Impurity 1 and MTBE Impurity 2
AR-L01467-01	Levocabastine Impurity 1

Catalog	Name
RM-M151208-01	Molsidomine Impurity 8
RM-M151206-01	Molsidomine Impurity 6
RM-M151209-01	Molsidomine Impurity 9
RM-M151207-01	Molsidomine Impurity 7
RM-M151204-01	Molsidomine EP Impurity D
RM-M151205-01	Molsidomine EP Impurity E
RM-M151201-01	Molsidomine EP Impurity A (Linsidomine)
RM-M151203-01	Molsidomine EP Impurity C
RM-N700900-01	N-Nitrosomorpholine; Molsidomine EP Impurity B
MBS577111	Molsidomine