Basic information
- Standard SMILES
NC(=O)c1ccc(N)cc1- InChIKey
QIKYZXDTTPVVAC-UHFFFAOYSA-N- Molecular formula
- C7H8N2O
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.06366288
Overview
4-Aminobenzamide is a member of benzamides.
Names & identifiers
- Preferred name
- 4-Aminobenzamide
- IUPAC
- 4-aminobenzamide
- English name
- p-Aminobenzamide
- Molecular formula
- C7H8N2O
- Molecular weight
- 136.15
Names & synonyms
4-Aminobenzamide2835-68-9p-AminobenzamideBenzamide, 4-amino-p-CarbamoylanilineBenzamide, p-amino-DTXSID703881477722I6PACNSC-36963NSC-233920DTXCID5018814para-aminobenzamide
Show more names
PARA AMINO BENZAMIDEDB70aminobenzamideABADSR4329Red base DB-70p-Aminobenzamidp-aminobenzanide4-amino-benzamid
RefChem:97829220-612-34-Amino-benzamide4-carbamoylanilinep-Aminobenzoic acid amideMFCD000079994-carboxamidoanilinep-Aminobenzenecarboxamide
Database identifiers
- CAS
2835-68-9- PubChem CID
- 76079
- DTXSID
DTXSID7038814- ChEMBL
CHEMBL332444- ChEBI
CHEBI:182421- UNII
- 77722I6PAC
- EC Number
- 220-612-3
- Nikkaji
- J60.370H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
Chemical ClassesIndustrial compound
SpringerMaterials PropertiesChemical shift
Collision Cross Section126.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7038814]
Physicochemical properties
- Melting point
- 181 · 181-183 °C(lit.)
- Boiling point
- 250.42 °C · 250.42°C (rough estimate)
- Density
- 1.1778 · 1.1778 (rough estimate)
- vapor pressure
- 0.001 · 0.001-0.001Pa at 25℃
- refractive index
- 1.5769 · 1.5769 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 16.83 · 16.83±0.50(Predicted)
- form
- Crystalline Powder
- color
- Off-white to beige
- Water Solubility
- Slightly soluble in water.
- BRN
- 2079485 · 2079485
- InChI
- 1S/C7H8N2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H2,9,10)
- InChIKey
- QIKYZXDTTPVVAC-UHFFFAOYSA-N
- SMILES
- NC(=O)c1ccc(N)cc1
- LogP
- -0.38 at · -0.38 at 23℃ and pH7
- CAS DataBase Reference
- 2835 · 2835-68-9(CAS DataBase Reference)
- FDA UNII
- 77722 I6PAC · 77722I6PAC
- NIST Chemistry Reference
- 4 · Benzamide, 4-amino-(2835-68-9)
- EPA Substance Registry System
- 4 · Benzamide, 4-amino- (2835-68-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/22-36/38-36/37/38
- Safety Statements
- 38 · 38-37/39-26-36
- WGK Germany
- 1 · 1
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29242990 · 29242990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 STOT · Eye Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.8% (2 of 72) of reports.
Warning
H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzamide, 4-amino-
Status: Active Update: 28-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11042
4-Aminobenzamide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesAcute Tox. 4 (62.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29242990
- risk_code
- 20/22-36/38-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 38-37/39-26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, 4-amino-: ACTIVE
Applications
Uses4-Aminobenzamide was used as a poly(ADP-ribose)polymerase (PADPRP) inhhibitor to study the death of target cells by cytotoxic effector cells using the nuclear enzyme poly(ADP-ribose)polymerase (PADPRP).
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: 4-Aminobenzamide is a member of benzamides.
Related reactions
114 records
Linked notes
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