3-Aminohomopiperidine - CAS 69154-03-6
Catalog: |
BB033711 |
Product Name: |
3-Aminohomopiperidine |
CAS: |
69154-03-6 |
Synonyms: |
3-azepanamine; azepan-3-amine |
IUPAC Name: | azepan-3-amine |
Description: | 3-Aminohomopiperidine (CAS# 69154-03-6) is a useful reagent for preparing N-alkylated pyrimidinediones. |
Molecular Weight: | 114.19 |
Molecular Formula: | C6H14N2 |
Canonical SMILES: | C1CCNCC(C1)N |
InChI: | InChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2 |
InChI Key: | WJUBYASTGWKFHK-UHFFFAOYSA-N |
Boiling Point: | 180.9 °C at 760 mmHg |
Density: | 0.893 g/cm3 |
MDL: | MFCD02183579 |
LogP: | 1.11630 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020197991-A1 | Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use | 20190322 |
TW-202102499-A | Bridged tricyclic carbamoylpyridone compounds and their pharmaceutical use | 20190322 |
WO-2020099882-A1 | Heterocyclic spiro-compounds as am2 receptor inhibitors | 20181115 |
WO-2020072656-A1 | Imidozopyrimidine derivatives | 20181003 |
EP-3860717-A1 | Imidozopyrimidine derivatives | 20181003 |
PMID | Publication Date | Title | Journal |
19000939 | 20090201 | Enantioselectivity and stereoselectivity in the reactions of the enantiomers of the platinum complex [PtCl2(ahaz)] (ahaz=3(R)- or 3(S)-aminohexahydroazepine) with DNA | Journal of inorganic biochemistry |
15922304 | 20050715 | DNA adducts of the enantiomers of the Pt(II) complexes of the ahaz ligand (ahaz=3-aminohexahydroazepine) and recognition of these adducts by HMG domain proteins | Biochemical and biophysical research communications |
12662034 | 20030404 | Practical asymmetric synthesis of 1,2-diamines in the 3-aminoazepane series | The Journal of organic chemistry |
Complexity: | 63.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.115698455 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.115698455 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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