4-Phenoxybutan-1-amine

CAT: 0926-RAA72866-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-RAA72866-01Size:100 mg

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CAS Number

16728-66-8

MDL Number

MFCD00031400

Smiles

C1=NC (=C2C (=N1) N3C4C (C (C (O4) CO) SC3=N2) O) N

Molecular Formula

C10H15NO

Molecular Weight

165.23 g/mol

Controlled

Chemical Information

4-Phenoxybutan-1-amine

CAS Number	16728-66-8
PubChem CID	116240
IUPAC Name	4-phenoxybutan-1-amine
Molecular Formula	C10H15NO
Molecular Weight	165.23
XLogP	2.1
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	100

SMILES

C1=CC=C(C=C1)OCCCCN

InChI

InChI=1S/C10H15NO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2

InChIKey

XUOBVRURUPUPHB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16728-66-8

CID: 116240

Formula: C10H15NO

MW: 165.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.23
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	165.115364102
Monoisotopic Mass	165.115364102
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	100
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

Catalog	Name
NAA66192-01	3-Hydroxy-3-methyl-4-phenoxybutan-2-one
BHB15087-01	1,4,4-Trimethylcyclohexan-1-amine
IIB45419-01	4,4-Dimethylcycloheptan-1-amine
NAA58086-01	4-Chlorophthalazin-1-amine
YRB92127-01	1-Cyclobutylpiperidin-4-amine
UCA79831-01	4-Ethoxynaphthalen-1-amine
JCA52879-01	1-Cyclohexylpiperidin-4-amine
ICA11457-01	4-Ethoxybutan-1-amine
WZC09107-01	1-Ethoxypiperidin-4-amine
FCA40428-01	1-Bromoisoquinolin-4-amine

Catalog	Name
OR954162-01	4-Phenoxybutan-1-amine
OR33326-01	3-Phenoxybutan-2-one
PC901499-01	4,4-Difluorocyclohexan-1-amine
OR1029355-01	4,4-Dimethoxybutan-1-Amine
433511-01	4,4-Dimethylcyclohexan-1-amine
AN KA 1219-01	4,4-dimethylpentan-1-amine
OR95637-01	[1,1':4',1''-Terphenyl]-4-amine
C380555	4-Chlorophthalazin-1-amine
RG-C250341-01	4-Cyclopentylpiperazin-1-Amine
RG-M200861-01	4-Methylpiperazin-1-Amine