Basic information
- CAS
63-90-1- Standard SMILES
CC(Cc1ccccc1)NO- InChIKey
LPZRPPBVFGJUOJ-UHFFFAOYSA-N- Molecular formula
- C9H13NO
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.09971404
Overview
metabolite of amphetamine; structure; RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- N-Hydroxy-alpha-methylbenzeneethanamine
- IUPAC
- N-(1-phenylpropan-2-yl)hydroxylamine
- English name
- Hydroxylamine, N-(alpha-methylphenethyl)-, hydrochloride, (+-)-
- Molecular formula
- C9H13NO
- Molecular weight
- 151.21
Names & synonyms
N-Hydroxyamphetamine63-90-1A2AXB2C6CQBenzeneethanamine, N-hydroxy-alpha-methyl-RefChem:927195N-Hydroxy-alpha-methylbenzeneethanamineN-(1-phenylpropan-2-yl)hydroxylamineUNII-A2AXB2C6CQSCHEMBL125441DTXSID70870499N-hydroxy-1-phenylpropan-2-amineAAA06390
Show more names
Benzeneethanamine, N-hydroxy-α-methyl-Hydroxylamine, N-(alpha-methylphenethyl)-, hydrochloride, (+-)-
(+/-)-N-HYDROXYAMPHETAMINEAKOS021002860N-(.ALPHA.-METHYLPHENETHYL)HYDROXYLAMINEN-HYDROXY-.ALPHA.-METHYLBENZENEETHANAMINEBENZENEETHANAMINE, N-HYDROXY-.ALPHA.-METHYL-
Database identifiers
- CAS
63-90-1- PubChem CID
- 65546
- DTXSID
DTXSID70870499- UNII
- A2AXB2C6CQ
- Nikkaji
- J2.572.612J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.7
Physicochemical properties
- Melting point
- 88 · 88-89 °C
- Boiling point
- 116 · 116-118 °C(Press: 4.0 Torr)
- Density
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- pka
- 5.77 · pKa 5.77(H2O,t = 25,I=1.0(KCl)) (Uncertain)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 AXB2C6CQ · A2AXB2C6CQ
Chemistry & industry
Applications
UsesN-Hydroxyamphetamine is used in pharmacological tests to diaganose patients with Horner's syndrome.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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