Beta, beta-Dimethylphenethylamine

CAT: 0127-OR16558-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR16558-01Size:250 mg

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CAS Number

21404-88-6

Synonyms

2-Methyl-2-phenylpropylamine

MDL Number

MFCD06213339

Purity

98%

Smiles

CC(C)(CN)c1ccccc1

Chemical Information

2-Methyl-2-phenylpropan-1-amine

CAS Number	21404-88-6
PubChem CID	210602
IUPAC Name	2-methyl-2-phenylpropan-1-amine
Molecular Formula	C10H15N
Molecular Weight	149.23
XLogP	2.6
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	112

SMILES

CC(C)(CN)C1=CC=CC=C1

InChI

InChI=1S/C10H15N/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3

InChIKey

CWSGTPMVOJFVIF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21404-88-6

CID: 210602

Formula: C10H15N

MW: 149.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	149.23
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	149.120449483
Monoisotopic Mass	149.120449483
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	112
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

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