Levocarnitine Impurity 71

CAT: 1299-RM-L220371-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-L220371-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

1314950-25-8

Synonyms

3-chloro-2- (hydroxymethyl) propanenitrile

Molecular Formula

C4H6ClNO

Molecular Weight

119.55

Target Alternative Name

Levocarnitine

Product Name Synonym

3-chloro-2- (hydroxymethyl) propanenitrile

Chemical Information

Levocarnitine Impurity 71

CAS Number	1314950-25-8
PubChem CID	55298587
IUPAC Name	2-(chloromethyl)-3-hydroxypropanenitrile
Molecular Formula	C4H6ClNO
Molecular Weight	119.55
XLogP	-0.1
Topological Polar Surface Area	44
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	84

SMILES

C(C(CCl)C#N)O

InChI

InChI=1S/C4H6ClNO/c5-1-4(2-6)3-7/h4,7H,1,3H2

InChIKey

QENDNABSUMYBAP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1314950-25-8

CID: 55298587

Formula: C4H6ClNO

MW: 119.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	119.55
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	119.0137915
Monoisotopic Mass	119.0137915
Topological Polar Surface Area	44 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	84.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes