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Z-epsilon-Acp-OH

CAT: 0572-TRC-B285885-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B285885-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1947-00-8
Synonyms
6-[[(Phenylmethoxy)carbonyl]amino]-hexanoic Acid; 6-(N-Benzyloxycarbonylamino)hexanoic Acid; N-(Benzyloxycarbonyl)-6-aminohexanoic Acid;NSC 92812; VIB 19;N-Benzyloxycarbonyl-6-aminocaproic Acid
Hazard Statement
Causes skin irritation
Smiles
OC(=O)CCCCCNC(=O)OCc1ccccc1
Molecular Formula
C14 H19 N O4
Molecular Weight
265.3
InChI
InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)
Additionnal Information
IUPAC name: 6-(phenylmethoxycarbonylamino)hexanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid
CAS Number1947-00-8
PubChem CID74758
IUPAC Name6-(phenylmethoxycarbonylamino)hexanoic acid
Molecular FormulaC14H19NO4
Molecular Weight265.30
XLogP2
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count19
Formal Charge0
Complexity275
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)O
InChI
InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)
InChIKey
RXQDBVWDABAAHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid
CAS: 1947-00-8
CID: 74758
Formula: C14H19NO4
MW: 265.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.30
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass265.13140809
Monoisotopic Mass265.13140809
Topological Polar Surface Area75.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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