CAS 10303-95-4 Adamantane-1,3-diamine (HCID 213512)

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Basic information

CAS: 10303-95-4
Standard SMILES: NC12CC3CC(C1)CC(N)(C3)C2
InChIKey: FOLJMFFBEKONJP-UHFFFAOYSA-N
Molecular formula: C10H18N2
Average molar mass: 166.26 g/mol
Monoisotopic mass: 166.14699858

Names & identifiers

Preferred name: Adamantane-1,3-diamine
IUPAC: adamantane-1,3-diamine
English name: 1,3-Adamantanediamine
Molecular formula: C10H18N2
Molecular weight: 166.26

Names & synonyms

Adamantane-1,3-diamine1,3-DiaminoadamantaneTricyclo[3.3.1.13,7]decane-1,3-diamineDTXSID90276893Tricyclo(3.3.1.13,7)decane-1,3-diamineRefChem:109633DTXCID90202091835-523-0FOLJMFFBEKONJP-UHFFFAOYSA-N10303-95-41,3-AdamantanediamineMFCD01831403

Show more names

13AD1, 3-Amantadane Diamine4. 1,3-diaminoadamantaneAdamantan-1,3-diyldiaminAdamantane-1,3-diamine,≥98%10303-95-4 1,3-Adamantanediamine1,3-Adamantanediaminewith2HClsaltBenzeneethanol,5-amino-β,β-dimethyl-

SCHEMBL510762SCHEMBL12130587AKOS006280188BS-43833EN300-297432T70028tricyclo[3.3.1.1~3,7~]decane-1,3-diamineSR-01000400481

Database identifiers

CAS: 10303-95-4
PubChem CID: 213512
DTXSID: DTXSID90276893
EC Number: 835-523-0
Nikkaji: J511.428D

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 190

Physicochemical properties

Boiling point: 249 °C · 249 °C
Density: 1.153 · 1.153
Flash point: 122 °C · 122 °C
storage temp.: 2 · 2-8°C, protect from light
pka: 10.73 · 10.73±0.40(Predicted)
form: powder to crystal
color: White to Almost white
InChI: InChI=1S/C10H18N2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6,11-12H2
InChIKey: FOLJMFFBEKONJP-UHFFFAOYSA-N
SMILES: C12(N)CC3CC(CC(N)(C3)C1)C2
CAS DataBase Reference: 10303 · 10303-95-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 501 · P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

hs_code: 2921.30.5000
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314
Precautionary statements: P501-P260-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405

Chemistry & industry

Applications

Uses1,3-Adamantanediamine is used in preparation method of SSZ-13 molecular sieve from β molecular sieve.

Preparation methods · 1 item

Preparation1,3-Adamantanediamine synthesis: 1,3-Adamantane dicarboxylic acid (12 g) was mixed with 50 mL of SOCl2 and the mixture was refluxed for 3 h. Excessive SOCl2 was evaporated and 1,3-adamantane dicarbonyl dichloride was obtained as white solid, dissolved in dried benzene and added to cold ammonia solution slowly, during which a white precipitate was formed gradually filtered and then washed the precipitate several times with water to give 1,3-disaminoacyladamantane as white solid, recrystallized from ethanol. White solid, yield 10.58 g (89 %).