4-(1-Azepanylmethyl)benzeneboronic acid pinacol ester - CAS 1315278-37-5
Catalog: |
BB074254 |
Product Name: |
4-(1-Azepanylmethyl)benzeneboronic acid pinacol ester |
CAS: |
1315278-37-5 |
Synonyms: |
4-(1-AZEPANYLMETHYL)BENZENEBORONIC ACID PINACOL ESTER; 1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azepane; 1-{[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}azepane; 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)azepane; 4-(Homopiperidine)methyl) phenylboronic acid pinacol ester; 4-(Homopiperidine)methyl) phenylboronicacid pinacol ester; 4-(Hexamethyleneiminomethyl)benzeneboronic acid pinacol ester |
IUPAC Name: | 1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azepane |
Molecular Weight: | 315.26 |
Molecular Formula: | C19H30BNO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCCCCC3 |
InChI: | InChI=1S/C19H30BNO2/c1-18(2)19(3,4)23-20(22-18)17-11-9-16(10-12-17)15-21-13-7-5-6-8-14-21/h9-12H,5-8,13-15H2,1-4H3 |
InChI Key: | UFFAWIHINLIOPX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.2369594 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.2369594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 21.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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