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4-Amino-4-(4-chlorophenyl)butan-1-ol

HCID 57750371
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(CCCO)c1ccc(Cl)cc1
InChIKey
FSNOUMNIAAALDA-UHFFFAOYSA-N
Molecular formula
C10H14ClNO
Average molar mass
199.68 g/mol

Names & identifiers

Preferred name
4-Amino-4-(4-chlorophenyl)butan-1-ol
IUPAC
4-amino-4-(4-chlorophenyl)butan-1-ol

Names & synonyms

4-amino-4-(4-chlorophenyl)butan-1-ol1143534-01-3SCHEMBL390483FSNOUMNIAAALDA-UHFFFAOYSA-N

Database identifiers

PubChem CID
57750371

Properties

Computed structural propertiesFilling in

XLogP
1.5
Topological polar surface area
46.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
135

Related reactions

6 records
New reaction record
HRID 307707 reaction equation
HRID 307707As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 423035 reaction equation
HRID 423035As productuspto-grants-2012_01
HRID 423036 reaction equation
HRID 423036As reactantuspto-grants-2012_01
HRID 423073 reaction equation
HRID 423073As productuspto-grants-2012_01
HRID 423085 reaction equation
HRID 423085As reactantuspto-grants-2012_01
HRID 1535186 reaction equation
HRID 1535186As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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