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N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine

HCID 76876
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Basic information

CAS
3349-64-2
Standard SMILES
ON=C1CCCc2ccccc21
InChIKey
YFDVQUUMKXZPLK-UHFFFAOYSA-N
Molecular formula
C10H11NO
Average molar mass
161.2 g/mol
Monoisotopic mass
161.08406397

Names & identifiers

Preferred name
N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
IUPAC
N-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
English name
1,2,3,4-Tetrahydronaphthalen-1-one oxime
Molecular formula
C10H11NO
Molecular weight
161.2

Names & synonyms

tetralone-1-oxime1,2,3,4-Tetrahydronaphthalen-1-one oxime1-tetralone oximeMFCD000292283,4-Dihydro-2H-naphthalen-1-one oximeN-(3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylaminetetralin-1-one oxime3,4-dihydro-1(2H)-naphthalenone oxime1(2H)-Naphthalenone, 3,4-dihydro-, oximeN-hydroxy-3,4-dihydronaphthalen-1(2H)-imineMaybridge1_004788SCHEMBL395524
Show more names
3,4-dihydronaphthalen-1(2H)-one oximeAKOS B015955TETRALONE OXIMEBUTTPARK 95\04-12ART-CHEM-BB B015955ALPHA-TETRALONE OXIME3,4-Dihydronaphthalenone oxime
SCHEMBL29757867DTXSID201275315HMS2648M23AB3671AKOS017263897SY105438DB-018720NS00047812

Database identifiers

CAS
3349-64-2
PubChem CID
76876
DTXSID
DTXSID201275315

Properties

Computed structural propertiesFilling in

XLogP
2.3
Topological polar surface area
32.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
188

Physicochemical properties

Melting point
103 °C · 103 °C
Boiling point
318.6 · 318.6±12.0 °C(Predicted)
Density
1.16 · 1.16
storage temp.
Sealed in dry,Room Temperature
pka
11.46 · 11.46±0.20(Predicted)
CAS DataBase Reference
3349 · 3349-64-2(CAS DataBase Reference)
FDA UNII
7 QNW5HV · KZA7QNW5HV
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39

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

risk_code
36/37/38
safety_code
26-36/37/39

Related reactions

40 records
New reaction record
HRID 1732 reaction equation
HRID 1732As productuspto-grants-1998_03
HRID 1733 reaction equation
HRID 1733As reactantuspto-grants-1998_03
HRID 123785 reaction equation
HRID 123785As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 351573 reaction equation
HRID 351573As productuspto-grants-2004_06
HRID 448878 reaction equation
HRID 448878As productuspto-grants-2013_07
HRID 448879 reaction equation
HRID 448879As reactantuspto-grants-2013_07
HRID 495983 reaction equation
HRID 495983As productuspto-grants-2005_09
HRID 495984 reaction equation
HRID 495984As reactantuspto-grants-2005_09
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Compound notes

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