Roxatidine Impurity 22

CAT: 1299-RM-R242222-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R242222-02Size:25 mg

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

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CAS Number

14753-26-5

Synonyms

3-chloropropan-1-amine

Molecular Formula

C3H8ClN

Molecular Weight

93.55

Target Alternative Name

Roxatidine

Product Name Synonym

3-chloropropan-1-amine

Chemical Information

3-Chloropropylamine

CAS Number	14753-26-5
PubChem CID	84629
IUPAC Name	3-chloropropan-1-amine
Molecular Formula	C3H8ClN
Molecular Weight	93.55
XLogP	0.2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	5
Formal Charge	0
Complexity	16

SMILES

C(CN)CCl

InChI

InChI=1S/C3H8ClN/c4-2-1-3-5/h1-3,5H2

InChIKey

BZFKSWOGZQMOMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14753-26-5

CID: 84629

Formula: C3H8ClN

MW: 93.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	93.55
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	93.0345270
Monoisotopic Mass	93.0345270
Topological Polar Surface Area	26 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	16.4
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