1-Boc-3-hydroxypiperidine

Details:

1.Introduction of 85275-45-2

1-Boc-3-hydroxypiperidine is a kind of chemical products used as pyrans, piperidines &piperazines, piperidine, piperidines, pyrans, piperidines & piperazines. It has IUPAC name of tert-butyl 3-hydroxypiperidine-1-carboxylate and CAS registry number as 85275-45-2. It also has other synonyms of boc-(r,s)-3-hydroxypiperidine, boc-3-hydroxypiperidine, 3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester, 1-n-boc-3-hydroxy-piperidine, 1-tert-butoxycarbonyl-3-hydroxy piperidine, 1-boc-3-hydroxypiperidine, 1-boc-3-piperidinol, (r,s)-boc-3-hydroxy-piperidine.

2.Properties of 85275-45-2

Molecular Weight: 201.26276 [g/mol]
Molecular Formula: C10H19NO3
XLogP3-AA: 1
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 201.136493
MonoIsotopic Mass: 201.136493
Topological Polar Surface Area: 49.8
Heavy Atom Count: 14
Complexity: 210
Undefined Atom Stereocenter Count: 1
Covalently-Bonded Unit Count: 1
Feature 3D Acceptor Count: 2
Feature 3D Donor Count: 1
Feature 3D Hydrophobe Count: 1
Feature 3D Ring Count: 1
Effective Rotor Count: 4.2
Conformer Sampling RMSD: 0.6
CID Conformer Count: 34

3.Structure Descriptors of 85275-45-2

(1)InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,
1-3H3
(2)InChIKey: UIJXHKXIOCDSEB-UHFFFAOYSA-N
(3)Canonical SMILES : CC(C)(C)OC(=O)N1CCCC(C1)O

4.Safety Information of 85275-45-2

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 26-36
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT