(αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid
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(αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid
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CAS No:
26774-88-9
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Formula:
C8H11NO2
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Chemical Name:
(αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid
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Synonyms:
1,4-Cyclohexadiene-1-acetic acid,α-amino-,(αR)-;1,4-Cyclohexadiene-1-acetic acid,α-amino-,D-(-)-;1,4-Cyclohexadiene-1-acetic acid,α-amino-,(R)-;(αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid;D-2-(1,4-Cyclohexadienyl)glycine;D-α-Amino-1,4-cyclohexadiene-1-acetic acid;D-1,4-Cyclohexadienylglycine;D-2,5-Dihydrophenylglycine;(R)-(-)-2-(2,5-DihydrophenyL)glycine;(2R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetic acid;(2R)-2-Azaniumyl-2-cyclohexa-1,4-dien-1-ylacetate
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CAS No:
(αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid Basic Attributes
153.18
153.18
2091420
247-999-1
451NQ27TG5
2922499990
Characteristics
63.3
1.15
White to off-white crystalline powder
1.2±0.1 g/cm3
280 °C (dec.)(lit.)
342.1±42.0 °C at 760 mmHg
160.7±27.9 °C
1.552
-20°C
0.00107mmHg at 25°C
-154 º (c=1 in H2O)
(αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid Use and Manufacturing
(R)-(-)-2-(2,5-Dihydrophenyl)glycine is a cycohexadiene based amino acid used in the preparation of cephalosporin-type antibiotics such as Cephradine (C261800).
Computed Properties
Molecular Weight:153.18
XLogP3:-1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:153.078978594
Monoisotopic Mass:153.078978594
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:218
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid
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