Bestatin Impurity 4 HCl

CAT: 1596-AR-B06979-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B06979-01Size:10 Units

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

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CAS Number

17279-30-0

Synonyms

(S) -1-phenylethan-1-amine, hydrochloride (1:1)

Molecular Formula

C8H11N. HCl

Molecular Weight

121.18 36.46

API Name

Bestatin

Chemical Information

Benzenemethanamine, alpha-methyl-, hydrochloride (1:1), (alphaS)-

CAS Number	17279-30-0
PubChem CID	12236039
IUPAC Name	(1S)-1-phenylethanamine;hydrochloride
Molecular Formula	C8H12ClN
Molecular Weight	157.64
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	74

SMILES

C[C@@H](C1=CC=CC=C1)N.Cl

InChI

InChI=1S/C8H11N.ClH/c1-7(9)8-5-3-2-4-6-8;/h2-7H,9H2,1H3;1H/t7-;/m0./s1

InChIKey

YEHGSOZIZRABBU-FJXQXJEOSA-N

Chemical Structure

2D Structure

CAS: 17279-30-0

CID: 12236039

Formula: C8H12ClN

MW: 157.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.64
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	157.0658271
Monoisotopic Mass	157.0658271
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	74.6
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	2
Compound Is Canonicalized	Yes

Catalog	Name
A2575-5	Bestatin