Basic information
- CAS
119-62-0- Standard SMILES
NC(CO)C(O)c1ccc([N+](=O)[O-])cc1- InChIKey
OCYJXSUPZMNXEN-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.07970687
Names & identifiers
- Preferred name
- 2-Amino-1-(4-nitrophenyl)-1,3-propanediol
- IUPAC
- 2-amino-1-(4-nitrophenyl)propane-1,3-diol
- English name
- 2-Amino-1-(4-nitrophenyl)-1,3-propanediol
- Molecular formula
- C9H12N2O4
- Molecular weight
- 212.2
Names & synonyms
119-62-02-Amino-1-(4-nitrophenyl)-1,3-propanediol1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-8FB0B566G6NSC-1639511-(4'-Nitrophenyl)-2-aminopropane-1,3-diolDTXSID501020866para-nitrophenylserinalRefChem:407564DTXCID302227332-amino-1-nitrophenylpropane-1,3-diol1-(4-nitrophenyl)-1,3-dihydroxypropylamine
Show more names
NSC1639512-Amino-3-(4-nitrophenyl)-1,3-propanediol2-Amino-1-(4-nitrophenyl)-1,3-Propanediol (DL-)D-(-)-Three-1-[4-Nitrophenyl]-2-AMino-1,3-Propanediol2-AMINO-1-(4-NITROPHENYL)-1,3-PROPANEDIOL(DL-)/S-BASE2-amino-1-(4-nitrophenyl) propane-1,3-diolQ: What is 2-amino-1-(4-nitrophenyl) propane-1,3-diol Q: What is the CAS Number of 2-amino-1-(4-nitrophenyl) propane-1,3-diol
204-338-12-Amino-1-(4-nitrophenyl)propane-1,3-diol1-(p-Nitrophenyl)-2-amino-1,3-propanediol3689-55-21,3-Propanediol,2-amino-1-(4-nitrophenyl)-1,3-propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-, nitrate(1:1)dextramineEINECS 204-338-1
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 163 · 163-165 °C
- Boiling point
- 451.9 · 451.9±45.0 °C(Predicted)
- Density
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- pka
- 10.98 · 10.98±0.45(Predicted)
- InChI
- InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2
- InChIKey
- OCYJXSUPZMNXEN-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C([N+]([O-])=O)C=C1)(O)C(N)CO
- FDA UNII
- 8 FB0B566G6 · 8FB0B566G6
- NIST Chemistry Reference
- 1 · 1,3-Propanediol, 2-amino-1-(4-nitrophenyl)-(119-62-0)
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers29 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东强森化工有限公司0533-15169226111-15169226111 15169226111 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
Related reactions
1 records
Compound notes
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