Hexetylamine Citrate - CAS 14601-95-7
Catalog: |
BB073139 |
Product Name: |
Hexetylamine Citrate |
CAS: |
14601-95-7 |
Synonyms: |
Hexetylamine citrate; 6G6IZ5GV2R; 2-(diethylamino)ethyl 2-cyclohexylbutanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid; Hexetylaminil citras |
IUPAC Name: | 2-(diethylamino)ethyl 2-cyclohexylbutanoate2-hydroxypropane-1,2,3-tricarboxylic acid |
Molecular Weight: | 461.54 |
Molecular Formula: | C16H31NO2·C6H8O7 |
Canonical SMILES: | CCC(C1CCCCC1)C(=O)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
InChI: | InChI=1S/C16H31NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-37-3(8)1-6(13,5(11)12)2-4(9)10/h14-15H,4-13H2,1-3H313H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
InChI Key: | FSDBTUMIKFVKQC-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 |
Complexity: | 473 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 461.26248182 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 461.26248182 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 162Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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