3-(Aminomethyl)-4-methylbenzoic Acid Hydrochloride - CAS 1087761-42-9
Catalog: |
BB073294 |
Product Name: |
3-(Aminomethyl)-4-methylbenzoic Acid Hydrochloride |
CAS: |
1087761-42-9 |
Synonyms: |
3-(aminomethyl)-4-methylbenzoic acid hydrochloride; 3-(aminomethyl)-4-methylbenzoic acid; hydrochloride; 3-(aminomethyl)-4-methylbenzoicacidhydrochloride |
IUPAC Name: | 3-(aminomethyl)-4-methylbenzoic acidhydrochloride |
Description: | 3-(aminomethyl)-4-methylbenzoic acid hydrochloride (cas# 1087761-42-9) is a useful research chemical. |
Molecular Weight: | 201.65 |
Molecular Formula: | C9H11NO2·HCl |
Canonical SMILES: | CC1=C(C=C(C=C1)C(=O)O)CN.Cl |
InChI: | InChI=1S/C9H11NO2.ClH/c1-6-2-3-7(9(11)12)4-8(6)5-10/h2-4H,5,10H2,1H3,(H,11,12)1H |
InChI Key: | VAOXROYHWZDYMZ-UHFFFAOYSA-N |
Melting Point: | 269 - 272°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Hygroscopic |
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: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.0556563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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