N-Isopropyl-4-nitrobenzylamine - CAS 202934-58-5
Catalog: |
BB015779 |
Product Name: |
N-Isopropyl-4-nitrobenzylamine |
CAS: |
202934-58-5 |
Synonyms: |
N-[(4-nitrophenyl)methyl]-2-propanamine; N-[(4-nitrophenyl)methyl]propan-2-amine |
IUPAC Name: | N-[(4-nitrophenyl)methyl]propan-2-amine |
Description: | N-Isopropyl-4-nitrobenzylamine (CAS# 202934-58-5 ) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C10H14N2O2 |
Canonical SMILES: | CC(C)NCC1=CC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C10H14N2O2/c1-8(2)11-7-9-3-5-10(6-4-9)12(13)14/h3-6,8,11H,7H2,1-2H3 |
InChI Key: | QNGBQYXZCFXBHP-UHFFFAOYSA-N |
MDL: | MFCD08757581 |
LogP: | 3.00690 |
Publication Number | Title | Priority Date |
CN-105001096-A | 4-amino-N-alkyl benzylamine preparation methood | 20150721 |
CN-105001096-B | A kind of method for preparing 4 amino N alkylbenzylamines | 20150721 |
US-2017204086-A1 | Alpha-helix analog having triazine-piperazine backbone and method for preparing same | 20140714 |
US-2014094462-A1 | Sonic hedgehog modulators | 20090421 |
US-2016046590-A1 | Sonic hedgehog modulators | 20090421 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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