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Home> Hot Product Listed N   > N-(CYCLOBUTYLMETHYL)(PHENYL)METHANAMINE
128-20-1 structure

N-(CYCLOBUTYLMETHYL)(PHENYL)METHANAMINE

Iupac Name:1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,
9,11,12,14,15,16,
17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CAS No.:128-20-1
Molecular Weight:318.49346
Molecular Formula:C15H23N (isomer)
Names and Identifiers
Synonyms

(cyclobutylmethyl)benzylamine 1513AE AC1LT7T0 AC1Q291P AJ-51775 AK-99057 AKOS000319653 ARONIS001792 benzyl(cyclobutylmethyl)amine CTK4H5080 DTXSID50364129 EN300-54722 MCULE-2365606270 mfcd03129359 MOLPORT-000-900-840 n- methanamine n-benzyl-1-cyclobutylmethanamine N-benzyl-1-cyclobutylmethanamine(SALTDATA: FREE) N-benzyl-N-(cyclobutylmethyl)amine OPREA1_369290 OPREA1_861094 OR262182 RTR-048164 SBB080025 ST50521082 TR-048164 Y-0096 Z57205555 ZINC4627558

Inchi
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14?,15-,16?,17?,18?,19?,20?,21?/m1/s1
InChkey
AURFZBICLPNKBZ-ZGLJFNAKSA-N
Canonical Smiles
CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
Isomers Smiles
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)
C
Properties
Melting Point
149 ºC
Boiling Point
250.7°C at 760 mmHg
Vapour
3.05E-09mmHg at 25°C
Refractive Index
1.524
Flash Point
62.2°C
Safety and Handling
Risk Statements
R40
Safety Statements
22-36
Hazard Note
H351
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H351 Suspected of causing cancer

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:318.49346g/mol
  • Molecular Formula:C15H23N
  • Exact Mass:318.25588
  • Monoisotopic Mass:318.25588
  • Complexity:500
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:8
  • 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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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-20-18102838259
  • Fax:86-0755-23229476
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+86-571-88233073
  • Fax:+86 571 8542 0855
  • Tel:+1-(800)-421-3701
  • Fax:+1-(800)-483-1993
 
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