trans-N-Boc-1,4-cyclohexanediamine - CAS 177906-48-8
Catalog: |
BB013346 |
Product Name: |
trans-N-Boc-1,4-cyclohexanediamine |
CAS: |
177906-48-8 |
Synonyms: |
N-(4-aminocyclohexyl)carbamic acid tert-butyl ester; tert-butyl N-(4-aminocyclohexyl)carbamate |
IUPAC Name: | tert-butyl N-(4-aminocyclohexyl)carbamate |
Description: | trans-N-Boc-1,4-cyclohexanediamine (CAS# 177906-48-8) is used in the preparation of orally bioavailable and selective V1A receptor antagonist. |
Molecular Weight: | 214.30 |
Molecular Formula: | C11H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCC(CC1)N |
InChI: | InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14) |
InChI Key: | FEYLUKDSKVSMSZ-UHFFFAOYSA-N |
Boiling Point: | 322.1 °C at 760 mmHg |
Density: | 1.02 g/cm3 |
LogP: | 2.87220 |
GHS Hazard Statement: | H411 (97.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113493398-A | Preparation method of N-Boc-trans-cyclohexanediamine | 20210811 |
CN-113321650-A | 3-substituent-5- (substituted aryl) -7-azaindole derivative and application thereof | 20210520 |
CN-113248481-A | EZH2 covalent irreversible inhibitor, preparation method and application thereof | 20210419 |
CN-112574200-A | Small molecule inhibitors of BTK and/or mutant C481S of BTK | 20210226 |
CN-112574200-B | Small molecule inhibitors of BTK and/or mutant C481S of BTK | 20210226 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.168127949 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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