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1-Benzyl-4-hydroxypiperidine

CAT: 0286-B07420-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-B07420-01Size:25 g
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CAS Number
4727-72-4
UN Code
UN2811
Pictogram
06 - Acute Toxicity; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00006503
Hazard Statement
H301 Toxic if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Toxic Solids, Organic, N.O.S.
DOT Classification
Class 6.1
Packaging Group
PGIII
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P270 Do not eat, drink, or smoke when using this product; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

1-Benzylpiperidin-4-ol
CAS Number4727-72-4
PubChem CID78461
IUPAC Name1-benzylpiperidin-4-ol
Molecular FormulaC12H17NO
Molecular Weight191.27
XLogP1.3
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity158
SMILES
C1CN(CCC1O)CC2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKey
BPPZXJZYCOETDA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzylpiperidin-4-ol
CAS: 4727-72-4
CID: 78461
Formula: C12H17NO
MW: 191.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.27
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass191.131014166
Monoisotopic Mass191.131014166
Topological Polar Surface Area23.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19244447-011-Benzyl-4-hydroxypiperidine
GTR19252364-014-Benzyl-4-hydroxypiperidine
B130108Benzyl 4-Hydroxypiperidine-1-carboxylate
GTR19251962-011-Benzyl-4-cyano-4-hydroxypiperidine
OR10271361-Benzyl-4-Hydroxypiperidine-4-Carbonitrile
OR1003652-011-Benzyl-4-hydroxypiperidine-4-carboxylic acid
KCA43730Methyl 1-benzyl-4-hydroxypiperidine-4-carboxylate
OR5395-011-Benzyl-4-hydroxypiperidine-4-carbonitrile hydrochloride
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