| CAS Number | 1704069-14-6 |
| Catalog Number | AG00ARCG |
| Chemical Name | (4-[1-(Dimethylamino)ethyl]phenyl)boronic acid |
| IUPAC Name | [4-[1-(dimethylamino)ethyl]phenyl]boronic acid;hydrochloride |
| InChI | InChI=1S/C10H16BNO2.ClH/c1-8(12(2)3)9-4-6-10(7-5-9)11(13)14;/h4-8,13-14H,1-3H3;1H |
| InChI Key | MMFBKOPWOXTXFV-UHFFFAOYSA-N |
| MDL Number | MFCD26959711 |
| Molecular Formula | C10H17BClNO2 |
| Molecular Weight | 229.5115 |
| SMILES | B(O)(O)C1=CC=C(C=C1)C(C)N(C)C.Cl |
| Synonyms | (4-(1-(dimethylamino)ethyl)phenyl)boronic acid hydrochloride,
1704069-14-6,
(4-[1-(DIMETHYLAMINO)ETHYL]PHENYL)BORONIC ACID HYDROCHLORIDE,
{4-[1-(dimethylamino)ethyl]phenyl}boronic acid hydrochloride,
ZX-CM004002,
4285AH,
MFCD26959711,
AKOS025286669,
AM88218,
T5740,
4012661-25G,
C10H16BNO2.HCl,
(4-[1-(DIMETHYLAMINO)ETHYL]PHENYL)BORONIC ACID,
1142944-79-3,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.511g/mol |
| Monoisotopic Mass | 229.104g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number