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2-Amino-2-phenylpropan-1-ol

HCID 349733
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
90642-81-2
Standard SMILES
CC(N)(CO)c1ccccc1
InChIKey
WAQCLDRCXNFRBI-UHFFFAOYSA-N
Molecular formula
C9H13NO
Average molar mass
151.21 g/mol
Monoisotopic mass
151.09971404

Names & identifiers

Preferred name
2-Amino-2-phenylpropan-1-ol
IUPAC
2-amino-2-phenylpropan-1-ol
English name
2-aMino-2-phenylpropan-1-ol
Molecular formula
C9H13NO
Molecular weight
151.21

Names & synonyms

2-amino-2-phenylpropan-1-ol90642-81-22-amino-2-phenyl-1-propanol2-amino-2-phenyl-propan-1-olMFCD12827154b-Amino-b-methylbenzeneethanol2-Amino-2-phenyl-propanolNSC4095762-amino-2-phenylpropanolSCHEMBL744277SCHEMBL4199686CHEMBL4555966
Show more names
Benzeneethanol, β-amino-β-methyl-
DTXSID70325292WAQCLDRCXNFRBI-UHFFFAOYSA-NBenzeneethanol, b-amino-b-methyl-QDA64281(RS)-2-Amino-2-phenylpropan-1-olAKOS005265788NSC-409576SB39774

Database identifiers

CAS
90642-81-2
PubChem CID
349733
DTXSID
DTXSID70325292
ChEMBL
CHEMBL4555966

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
121

Physicochemical properties

storage temp.
2 · 2-8°C, protect from light
Appearance
Colorless to off-white Oil
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Related reactions

13 records
New reaction record
HRID 154465 reaction equation
HRID 154465As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 160801 reaction equation
HRID 160801As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 605426 reaction equation
HRID 605426As productuspto-grants-2011_03
HRID 605427 reaction equation
HRID 605427As reactantuspto-grants-2011_03
HRID 605432 reaction equation
HRID 605432As reactantuspto-grants-2011_03
HRID 836199 reaction equation
HRID 836199As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 838323 reaction equation
HRID 838323As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 884022 reaction equation
HRID 884022As productuspto-grants-2012_08
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Compound notes

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