DL-α-Amino-ε-caprolactam hydrochloride - CAS 29426-64-0
Catalog: |
BB020199 |
Product Name: |
DL-α-Amino-ε-caprolactam hydrochloride |
CAS: |
29426-64-0 |
Synonyms: |
3-aminoazepan-2-one;hydrochloride |
IUPAC Name: | 3-aminoazepan-2-one;hydrochloride |
Description: | DL-α-Amino-ε-caprolactam hydrochloride (CAS# 29426-64-0) is a useful research chemical. |
Molecular Weight: | 164.63 |
Molecular Formula: | C6H12N2O · HCl |
Canonical SMILES: | C1CCNC(=O)C(C1)N.Cl |
InChI: | InChI=1S/C6H12N2O.ClH/c7-5-3-1-2-4-8-6(5)9;/h5H,1-4,7H2,(H,8,9);1H |
InChI Key: | LWXJCGXAYXXXRU-UHFFFAOYSA-N |
Boiling Point: | 340.3 ℃ at 760 mmHg |
MDL: | MFCD06798179 |
LogP: | 1.39200 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021105334-A1 | Piperidine-2, 6-dione derivatives which bind to cereblon, and methods of use thereof | 20191127 |
CN-111217750-A | Preparation method of caprolactam | 20181125 |
EP-3813834-A1 | New crbn modulators | 20180629 |
US-2021052532-A1 | Compositions and methods for treatment of insulin resistance | 20180307 |
EP-3559005-A1 | Thienopyrrole derivatives for use in targeting proteins, compositions, methods, and uses thereof | 20161221 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.0716407 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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