Ambroxol | CAS No. 18683-91-5

Ambroxol

Basic Information

CAS Number

18683-91-5

Molecular Formula

C13H18Br2N2O

Molecular Weight

378.11 g/mol

AD

Basic Physical Properties

Melting Point

233-234 C

Boiling Point

468.6°C at 760 mmHg

Flash Point

237.2 °C

Refractive Index

1.6220 (estimate)

C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O

InChI

InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-

InChIKey

JBDGDEWWOUBZPM-XYPYZODXSA-N

LogP

3.1869000000000014

Topological Polar Surface Area

58.28 Ų

Hydrogen Bond Donor/Acceptor

4 / 3

Complexity

259

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • VS-02240
  • 36557-04-7
  • 4-[(2-amino-3,5-dibromophenyl)methylamino-]cyclohexanol
  • Prestwick1_000366
  • AS-56023
  • SB17463
  • JBDGDEWWOUBZPM-XYPYZODXSA-N
  • UNII-QH6ZT6J071
  • CHEBI:135590
  • AKOS015889660
  • DTXSID8022583
  • AB01275465-01
  • CHEMBL1477775
  • SCHEMBL21765132
  • HY-B1039
  • SBI-0051766.P002
  • cis-4-(((2-Amino-3,5-dibromophenyl)methyl)amino)cyclohexanol
  • 4-Hydroxydemethylbromhexine, cis-
  • Prestwick3_000366
  • (1r,4r)-4-((2-amino-3,5-dibromobenzyl)amino)cyclohexan-1-ol
  • BCP9000283
  • MFCD28143339
  • SB82866
  • N-(trans-4-Hidroxiciclohexil)-(2-amino-3,5-dibromobencil)amina
  • Spectrum4_001068
  • EC 242-500-3
  • 4-{[(2-amino-3,5-dibromophenyl)methyl]amino}cyclohexan-1-ol
  • ambroxol
  • KBioSS_001826
  • Spectrum2_001518
  • trans-4-((2-Amino-3,5-dibromobenzyl)amine)cyclohexanol

MDL Number

MFCD00242702

Customs Code

2922199090

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