tert-butyl N-[(1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate - CAS 953903-48-5
Catalog: |
BB055439 |
Product Name: |
tert-butyl N-[(1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate |
CAS: |
953903-48-5 |
Synonyms: |
tert-butyl N-[(1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate; tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate; tert-butylN-[(1,2,3,4-tetrahydroquinolin-2-yl)methyl]carbamate; [(1,2,3,4-Tetrahydroquinoline-2-yl)methyl]carbamic acid tert-butyl ester |
IUPAC Name: | tert-butyl N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)carbamate |
Molecular Weight: | 262.35 |
Molecular Formula: | C15H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1CCC2=CC=CC=C2N1 |
InChI: | InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)16-10-12-9-8-11-6-4-5-7-13(11)17-12/h4-7,12,17H,8-10H2,1-3H3,(H,16,18) |
InChI Key: | GFGYULDAOAYOAA-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2006128689-A1 | Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof | 20041124 |
US-7812019-B2 | Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof | 20041124 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.168127949 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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