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

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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

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6. Computational chemical data

Molecular Weight：234.33398g/mol
Molecular Formula：C_₁₀H_₁₀O_₅
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

7. Similar Structures Products

cas:1303-96-4Sodium Tetraborate Decahydrate

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