Basic information
- CAS
4928-02-3- Standard SMILES
Nc1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2- InChIKey
OYOUQHVDCKOOAL-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Overview
7-Aminonitrazepam is a benzodiazepine.
Names & identifiers
- Preferred name
- 7-Aminonitrazepam
- IUPAC
- 7-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
- English name
- 7-Aminonitrazepam
- Molecular formula
- C15H13N3O
- Molecular weight
- 251.28
Names & synonyms
7-Aminonitrazepam4928-02-3Ro-05-30722H-1,4-Benzodiazepin-2-one, 7-amino-1,3-dihydro-5-phenyl-1A49O337AZRo-053072DTXSID20197749RO 05-30727-amino-5-phenyl-3H-1,4-benzodiazepin-2-olRefChem:545424DTXCID301202407-Amino Nitrazepam
Show more names
ro5-30727-Aminonitrazepam solution7-AMINONITRAZEPAM (100UG/ML ACETONITRILE)7-Aminonitrazepam, 1mg/ml in Acetonitrile7-Aminonitrazepam 0.1 mg/ml in Acetonitrile
7-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-oneCHEMBL1471447-Amino-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one7-Amino-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one7-Amino Nitrazepam (1mg/ml in Methanol)Ro 5-3072Nitrazepam-M 7-aminoBRN 0535813
Database identifiers
- CAS
4928-02-3- PubChem CID
- 78641
- DTXSID
DTXSID20197749- ChEMBL
CHEMBL147144- ChEBI
CHEBI:166534- UNII
- 1A49O337AZ
- EC Number
- 641-746-2
- Nikkaji
- J274.741C
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> New Drug
LogP
1.00
1.39
Collision Cross Section158.1 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
Physicochemical properties
- Melting point
- 242 · 242-244°C
- Boiling point
- 394.44 °C · 394.44°C (rough estimate)
- Density
- 1.121 · 1.1210 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- Flash point
- 2 ℃ · 2℃
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol(Slightly)
- pka
- 2.5 · pKa 2.5 4.6 13.1(5%MeOH in H2O t=20 I=0.15) (Uncertain)
- form
- Solid
- color
- Pale Yellow to Light Yellow
- Major Application
- clinical testing
- InChI
- 1S/C15H13N3O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9,16H2,(H,18,19)
- InChIKey
- OYOUQHVDCKOOAL-UHFFFAOYSA-N
- SMILES
- O=C1NC2=CC=C(N)C=C2C(C3=CC=CC=C3)=NC1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 A49O337AZ · 1A49O337AZ
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H332-H319-H302+H312+H332
- Precautionary statements
- 210 · P210-P305+P351+P338-P261-P302+P352+P312-P304+P340+P312-P337+P313-P403+P235
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20/21/22-36
- Safety Statements
- 16 · 16-36/37
- RIDADR
- 1648 · UN 1648 3 / PGII
- WGK Germany
- 2 · 2
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information2H-1,4-Benzodiazepin-2-one, 7-amino-1,3-dihydro-5-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 2
- ridadr
- UN 1648 3 / PGII
- risk_code
- 11-20/21/22-36
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-36/37
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H302+H332-H319-H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- Precautionary statements
- P210-P305+P351+P338-P261-P302+P352+P312-P304+P340+P312-P337+P313-P403+P235
Chemistry & industry
Applications
UsesA metabolite of Nitrazepam (N490140).
Suppliers5 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Additional notes
DefinitionChEBI: 7-Aminonitrazepam is a benzodiazepine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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