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Home> Hot Product Listed C   > CHEMBRDG-BB 5265121
6893-26-1 structure

CHEMBRDG-BB 5265121

CAS No.:6893-26-1
Molecular Weight:147.12926
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

4-(1-AZEPANYLMETHYL)BENZOIC ACID AKOS BBV-006505 OTAVA-BB 7020672184 UKRORGSYN-BB BBV-006505

Inchi
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
Canonical Smiles
C(CC(=O)O)C(C(=O)O)N
Properties
Melting Point
200-202℃
Vapour
2.55E-05mmHg at 25°C
HS Code
29224200
Safety and Handling
Safety Statements
S24/25
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 6893-26-1 EC: CHEMBRDG-BB 5265121 ·ECHA C&L Inventory for CAS: CAS: 6893-26-1 EC: CHEMBRDG-BB 5265121
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:147.12926g/mol
  • Molecular Formula:
  • XLogP3-AA:_3.7
  • Exact Mass:147.053158
  • Monoisotopic Mass:147.053158
  • Complexity:145
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:101
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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