4-[3-(Boc-amino)propyl]aniline - CAS 180147-82-4
Catalog: |
BB013647 |
Product Name: |
4-[3-(Boc-amino)propyl]aniline |
CAS: |
180147-82-4 |
Synonyms: |
N-[3-(4-aminophenyl)propyl]carbamic acid tert-butyl ester; tert-butyl N-[3-(4-aminophenyl)propyl]carbamate |
IUPAC Name: | tert-butyl N-[3-(4-aminophenyl)propyl]carbamate |
Description: | 4-[3-(Boc-amino)propyl]aniline (CAS# 180147-82-4 ) is a useful research chemical. |
Molecular Weight: | 250.34 |
Molecular Formula: | C14H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCCCC1=CC=C(C=C1)N |
InChI: | InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-10-4-5-11-6-8-12(15)9-7-11/h6-9H,4-5,10,15H2,1-3H3,(H,16,17) |
InChI Key: | FINXOGYWGUOYQV-UHFFFAOYSA-N |
LogP: | 3.51170 |
Publication Number | Title | Priority Date |
WO-2021105916-A1 | Sulfonamide compounds targeting cd73 and adenosine receptors | 20191126 |
AU-2016231289-A1 | Benzazepine dicarboxamide compounds | 20150306 |
CA-2972148-A1 | Benzazepine dicarboxamide compounds | 20150306 |
DK-3265458-T3 | Benzazepindicarboxamide compounds | 20150306 |
EP-3265458-A1 | Benzazepine dicarboxamide compounds | 20150306 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.168127949 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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