Carfilzomib Impurity 92

CAT: 1299-RM-K161892-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-K161892-01Size:10 mg

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CAS Number

1469982-99-7

Synonyms

(S) -4-amino-2,6-dimethylhept-1-en-3-one

Molecular Formula

C9H17NO

Molecular Weight

155.24

Target Alternative Name

Carfilzomib

Product Name Synonym

(S) -4-amino-2,6-dimethylhept-1-en-3-one

Chemical Information

(4S)-4-amino-2,6-dimethylhept-1-en-3-one

CAS Number	1469982-99-7
PubChem CID	78358443
IUPAC Name	(4S)-4-amino-2,6-dimethylhept-1-en-3-one
Molecular Formula	C9H17NO
Molecular Weight	155.24
XLogP	1.7
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	161

SMILES

CC(C)C[C@@H](C(=O)C(=C)C)N

InChI

InChI=1S/C9H17NO/c1-6(2)5-8(10)9(11)7(3)4/h6,8H,3,5,10H2,1-2,4H3/t8-/m0/s1

InChIKey

VTYUAKMRSWBWST-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 1469982-99-7

CID: 78358443

Formula: C9H17NO

MW: 155.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	155.24
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	155.131014166
Monoisotopic Mass	155.131014166
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes