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Home> Encyclopedia >   /  Borate  /  Inorganic Acids  /  Pharmaceutical Intermediates  /  Other Inorganic Chemicals  /  Others
Benzenemethanamine,a-methyl-N-2-propen-1-yl-, hydrochloride (1:1), (aR)- structure
Benzenemethanamine,a-methyl-N-2-propen-1-yl-, hydrochloride (1:1), (aR)- structure

Benzenemethanamine,a-methyl-N-2-propen-1-yl-, hydrochloride (1:1), (aR)-

Iupac Name:disodium;3,7-dioxido-2,4,6,8,9-pentaoxa-1,3,5,7-tetraborabicyclo[3.3.1]nonane;decahydrate
CAS No.:1303-96-4
Molecular Weight:234.33398
1. Names and Identifiers
1.1 Name
Benzenemethanamine,a-methyl-N-2-propen-1-yl-, hydrochloride (1:1), (aR)-
1.2 Synonyms

(R)-(+)-N-ALLYL-1-PHENYLETHYLAMINE HYDROCHLORIDE, 95 EOS-62399

1.3 CAS No.
1303-96-4
1.4 CID
16211214
1.5 Molecular Formula
C10H10O5 (isomer)
1.6 Inchi
InChI=1/B4O7.2Na/c5-1-9-3(7)11-4(8)10-2-6;;/q-2;2*+1
1.7 InChkey
CDMADVZSLOHIFP-UHFFFAOYSA-N
1.8 Canonical Smiles
B1(OB2OB(OB(O1)O2)[O-])[O-].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
2. 3D Conformer
3. Properties
3.1 Density
1.2
3.2 Melting Point
75℃
3.3 Vapour
Approximately 0 mm Hg
3.4 Refractive Index
Index of refraction: 1.447 (alpha); 1.469 (beta); 1.472 (gamma)
3.5 Flash Point
499°C
3.6 Chemical Properties
white to off-white powder and chunks (R)-(+)-N-ALLYL-1-PHENYLETHYLAMINE HYDROCHLORIDE, 95Supplier
3.7 Color/Form
White to off-white
4. Safety and Handling
4.1 Risk Statements
R62
4.2 Safety Statements
S36/37
4.3 HazardClass
3
4.3 Transport
UN 1458
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:234.33398g/mol
  • Molecular Formula:C10H10O5
  • XLogP3-AA:6.1
  • Exact Mass:234.16198
  • Monoisotopic Mass:234.16198
  • Complexity:205
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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