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Home> Encyclopedia > Hot Product Listed 2   > 2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-N-(phenylmethyl)-, (2S)-
342-10-9 structure

2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-N-(phenylmethyl)-, (2S)-

Iupac Name:2-[[2-[[1-[2-[[2-[[2-[[1-[1-[2-(2,
6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoyl]
pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-
phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-
3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CAS No.:342-10-9
Molecular Weight:1188.3808
Molecular Formula:C5H5BROS (isomer)
Names and Identifiers
Synonyms

2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-N-(phenylmethyl)-, (S)- (9CI)

Inchi
InChI=1/C56H85N17O12/c57-24-8-7-18-36(58)46(76)67-37(19-9-25-63-55(59)60)51(81)73-29-13-23-44(73)53(83)72-28-11-21-42(72)49(79)65-32-45(75)66-39(30-34-14-3-1-4-15-34)47(77)70-41(33-74)52(82)71-27-12-22-43(71)50(80)69-40(31-35-16-5-2-6-17-35)48(78)68-38(54(84)85)20-10-26-64-56(61)62/h1-6,14-17,36-44,74H,7-13,18-33,57-58H2,(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,80)(H,70,77)(H,84,85)(H4,59,60,63)(H4,61,62,64)
Canonical Smiles
C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O
Properties
Boiling Point
111-113C
Refractive Index
1.685
Flash Point
110 °C
Safety and Handling
Specification

 (S)-5-Methoxy-1,2,3,4-tetrahydro-N-(phenylmethyl)-2-naphthalenamine , its cas register number is 58349-23-8. It also can be called 2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-N-(phenylmethyl)-, (2S)- ; 2-Naphthalenamine,1,2,3,4-tetrahydro-5-methoxy-N-(phenylmethyl)-, (S)- (9CI) .

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:1188.3808g/mol
  • Molecular Formula:C5H5BROS
  • Exact Mass:1187.656361
  • Monoisotopic Mass:1187.656361
  • Complexity:2330
  • Rotatable Bond Count:33
  • Hydrogen Bond Donor Count:14
  • Hydrogen Bond Acceptor Count:16
  • Topological Polar Surface Area:474
  • Heavy Atom Count:85
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:9
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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