Basic information
- CAS
7255-89-2- Standard SMILES
O=[N+]([O-])c1ccccc1NC1CCN(Cc2ccccc2)CC1- InChIKey
YZKQBUWNKRTZQC-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.16337691
Names & identifiers
- Preferred name
- 1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine
- IUPAC
- 1-benzyl-N-(2-nitrophenyl)piperidin-4-amine
- English name
- 1-benzyl-N-(2-nitrophenyl)piperidin-4-amine
- Molecular formula
- C18H21N3O2
- Molecular weight
- 311.37824
Names & synonyms
1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine7255-89-2EINECS 230-675-9DTXSID10222872N-(2-nitrophenyl)-1-(phenylmethyl)-4-piperidinamineNSC 74309RefChem:430005DTXCID40145363230-675-9NSC-74309NSC74309S38KW7L6HY
Show more names
N-(2-Nitrophenyl)-1-phenylmethyl-4-piperidinamine4-Piperidinamine, N-(2-nitrophenyl)-1-(phenylmethyl)-
Oprea1_813039MLS000860884SCHEMBL6159635CHEMBL1376379HMS2805M11CCG-50986AKOS0085683931-Benzyl-4-(2-nitroanilino)piperidine
Database identifiers
- CAS
7255-89-2- PubChem CID
- 81675
- DTXSID
DTXSID10222872- ChEMBL
CHEMBL1376379- UNII
- S38KW7L6HY
- EC Number
- 230-675-9
- Nikkaji
- J212.269C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 466.8 · 466.8±45.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 8.1 · 8.10±0.10(Predicted)
- FDA UNII
- 38 KW7L6HY · S38KW7L6HY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
Related reactions
4 records
Compound notes
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