NAP 226-90

CAT: 0024-sc-219332Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-219332Size:1 mg

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CAS Number

139306-10-8

Chemical Information

Nap-226-90

CAS Number	139306-10-8
PubChem CID	445892
IUPAC Name	3-[(1S)-1-(dimethylamino)ethyl]phenol
Molecular Formula	C10H15NO
Molecular Weight	165.23
XLogP	1.8
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	136

SMILES

C[C@@H](C1=CC(=CC=C1)O)N(C)C

InChI

InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1

InChIKey

GQZXRLWUYONVCP-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 139306-10-8

CID: 445892

Formula: C10H15NO

MW: 165.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.23
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	165.115364102
Monoisotopic Mass	165.115364102
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	136
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