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Home> Encyclopedia > Hot Product Listed 2   > 2-Propenoic acid,3-[3-[(cyclohexylcarbonyl)[[4'-(dimethylamino)[1,1'-biphenyl]-4-yl]methyl]amino]phe...
148553-50-8 structure

2-Propenoic acid,3-[3-[(cyclohexylcarbonyl)[[4'-(dimethylamino)[1,1'-biphenyl]-4-yl]methyl]amino]phenyl]-,methyl ester

Iupac Name:(3S)-3-(aminomethyl)-5-methylhexanoic acid
CAS No.:148553-50-8
Molecular Weight:159.22608
Molecular Formula:C10H17NO (isomer)
Names and Identifiers
Synonyms

(2E,4Z)-5-(3-(N-((4'-(dimethylamino)biphenyl-4-yl)methyl)cyclohexanecarboxamido)phenyl)-4-(methoxycarbonyl)penta-2,4-dienoic acid (e)-3-{3-[cyclohexanecarbonyl-(4''-dimethylamino-biphenyl-4-ylmethyl)-amino]-phenyl}-acrylic acid methyl ester (E)-methyl 3-(3-(N-((4'-(dimethylamino)biphenyl-4-yl)methyl)cyclohexanecarboxamido)phenyl)acrylate 2-Propenoic acid, 3-[3-[(cyclohexylcarbonyl)[[4'-(diMethylaMino)[1,1'-biphenyl]-4-yl]Methyl]aMino]phenyl]-, Methyl ester 3-[[4'-(dimethylamino)-4-biphenylylmethyl](cyclohexylcarbonyl)amino]cinnamic acid methyl ester 3-[3-[(Cyclohexylcarbonyl)-[[4'-(dimethylamino)-[1,1'-biphenyl]-4-yl]methyl]amino]phenyl]-2-pr 3-[3-[(cyclohexylcarbonyl)-[[4'-(dimethylamino)-[1,1'-biphenyl]-4-yl]methyl]amino]phenyl]-2-propenoic acid methyl ester 3-[3-[(cyclohexylcarbonyl)-[[4'-(dimethylamino)-[1,1'-biphenyl]-4-yl]methyl]amino]phenyl]-2-propenoicacidmethylester 3671AH A1-01872 AK175872 AKOS024457169 AOB5017 B7108 BC600742 bdbm50167161 BRD-K34170797-001-01-1 C15649 c32h36n2o3 chebi:80003 CHEMBL192966 CS-3884 D01MYO DB02545 FEX HY-10912 methyl (e)-3-[3-[cyclohexanecarbonyl-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]prop-2-enoate methyl 3-{3-[(cyclohexylcarbonyl){[4'-(dimethylamino)biphenyl-4-yl]methyl}amino]phenyl}acrylate MOLPORT-023-276-486 NCGC00167776-01 RT-012704 SCHEMBL17083218 ZINC13831232

Inchi
InChI=1/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChkey
AYXYPKUFHZROOJ-ZETCQYMHSA-N
Canonical Smiles
CC(C)CC(CC(=O)O)CN
Isomers Smiles
CC(C)C[C@@H](CC(=O)O)CN
Properties
Density
1.133
Melting Point
194-196°C
Boiling Point
369°C at 760 mmHg
Vapour
0.00153mmHg at 25°C
Refractive Index
1.464
Flash Point
184.2°C
Alpha
D23 +10.52° (c = 1.06 in water)
HS Code
29224999
Storage temp
Desiccate at +4°C
Safety and Handling
Risk Statements
63-48/22-39/23/24/25-23/24/25-11
Safety Statements
22-36/37-45-16-7
Hazard Note
H318; H361
Transport
UN1230 - class 3 - PG 2 - Methanol, solution
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Serious eye damage, Category 1

Reproductive toxicity, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H318 Causes serious eye damage

H361 Suspected of damaging fertility or the unborn child

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

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

P201 Obtain special instructions before use.

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

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

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

P314 Get medical advice/attention if you feel unwell.

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:159.22608g/mol
  • Molecular Formula:C10H17NO
  • Exact Mass:159.125929
  • Monoisotopic Mass:159.125929
  • Complexity:123
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3
  • Heavy Atom Count:11
  • Defined Atom Stereocenter Count:1
  • 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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