SHP099 Hydrochloride

CAT: 0926-BXC74711-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-BXC74711-01Size:5 mg

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CAS Number

1801747-11-4

MDL Number

MFCD30343849

Smiles

CC1 (CCN (CC1) C2=CN=C (C (=N2) N) C3=C (C (=CC=C3) Cl) Cl) N.Cl

Molecular Formula

C16H19Cl2N5·XHCl

Molecular Weight

352.26 g/mol

Controlled

Chemical Information

6-(4-Amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine hydrochloride

CAS Number	1801747-11-4
PubChem CID	121241170
IUPAC Name	6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine;hydrochloride
Molecular Formula	C16H20Cl3N5
Molecular Weight	388.7
Topological Polar Surface Area	81.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	24
Formal Charge	0
Complexity	402

SMILES

CC1(CCN(CC1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)N.Cl

InChI

InChI=1S/C16H19Cl2N5.ClH/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18;/h2-4,9H,5-8,20H2,1H3,(H2,19,22);1H

InChIKey

KHQHYRFUYAXWOQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1801747-11-4

CID: 121241170

Formula: C16H20Cl3N5

MW: 388.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	387.078429
Monoisotopic Mass	387.078429
Topological Polar Surface Area	81.1 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	402
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	2
Compound Is Canonicalized	Yes

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