Cis-4-(4-Methylpiperazin-1-yl)cyclohexan-1-amine Trihydrochloride - CAS 1955523-25-7
Catalog: |
BB076308 |
Product Name: |
Cis-4-(4-Methylpiperazin-1-yl)cyclohexan-1-amine Trihydrochloride |
CAS: |
1955523-25-7 |
Synonyms: |
4-(4-Methyl-1-piperazinyl)cyclohexanamine Trihydrochloride; 4-(4-Methylpiperazin-1-yl)cyclohexanamine Trihydrochloride |
IUPAC Name: | 4-(4-methylpiperazin-1-yl)cyclohexan-1-aminetrihydrochloride |
Description: | 4-(4-methylpiperazin-1-yl)cyclohexan-1-amine trihydrochloride, cis (cas# 723341-87-5) is a useful research chemical. It is used in the process for preparation of pyrimidino-diazepine derivatives. |
Molecular Weight: | 197.32 + 3(36.46) |
Molecular Formula: | C11H23N3·3[HCl] |
Canonical SMILES: | CN1CCN(CC1)C2CCC(CC2)N.Cl.Cl.Cl |
InChI: | InChI=1S/C11H23N3.3ClH/c1-13-6-8-14(9-7-13)11-4-2-10(12)3-5-11/h10-11H,2-9,12H2,1H33*1H |
InChI Key: | GPFXTBDHCSILEG-UHFFFAOYSA-N |
References: | Skead, B., et al. PCT Int. Appl. (2021), WO 2021032958 A1 20210225. |
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 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 4 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.119231 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.119231 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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