Ectoine | CAS No. 96702-03-3

Ectoine

Basic Information

CAS Number

96702-03-3

Molecular Formula

C6H10N2O2

Molecular Weight

142.16 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

~280°

Boiling Point

381.5℃/760mmHg

Density

1.37

Flash Point

184.5°C

Solubility

methanol: 20 mg/mL, clear, colorless

Refractive Index

1.596

Specific Rotation

D20 +140° (c = 1.0 in methanol)

CC1=NCCC(N1)C(=O)O

InChI

InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1

InChIKey

WQXNXVUDBPYKBA-YFKPBYRVSA-N

LogP

-0.14869999999999983

Topological Polar Surface Area

61.69 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

177

Synonyms & References

English

  • 4-Pyrimidinecarboxylicacid, 3,4,5,6-tetrahydro-2-methyl-, (4S)-
  • THP[B]
  • 2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID
  • ECTOIN
  • Ectoine sodium salt monohydrate
  • 4-Pyrimidinecarboxylicacid,1,4,5,6-tetrahydro-2-methyl-,(4S)-(9CI)
  • (S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (S)-2-Methyl- 1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • Pyrostatine B
  • RonaCare
  • Thp(B)
  • (S)-1,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
  • Ectoine
  • NSC 614616
  • Pyrostatin B
  • L-Ectoine
  • 7GXZ3858RY
  • (4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
  • SMR000127407
  • Ectoine, primary pharmaceutical reference standard
  • 1,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxyli
  • (4S)-3,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid (ACI)
  • 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (4S)- (9CI)
  • 4-Pyrimidinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-, (S)- (ZCI)
  • (4S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (4S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • (S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
  • Ectoin
  • (S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic Acid

MDL Number

MFCD03419286

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