CS-1001242
Benzeneacetic acid, α-[(methoxycarbonyl)amino]-, methyl ester, (S)-
Manufacturer: ChemScene
CAS Number: 138604-90-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₁₃NO₄
Molecular Weight
223.23
Synonyms
None
SMILES
[C@@H](NC(OC)=O)(C(OC)=O)C1=CC=CC=C1
Tpsa
64.63
Logp
1.2567
H Acceptors
4
H Donors
1
Rotatable Bonds
3
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 138604-90-7 | | A2B Chem | -- |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₃NO₄
Molecular Weight: 223.23
Synonyms: None
SMILES: [C@@H](NC(OC)=O)(C(OC)=O)C1=CC=CC=C1
Tpsa: 64.63
Logp: 1.2567
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₃NO₄
Molecular Weight:
223.23
Synonyms:
None
SMILES:
[C@@H](NC(OC)=O)(C(OC)=O)C1=CC=CC=C1
Tpsa:
64.63
Logp:
1.2567
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₁FN₂O₂
Molecular Weight: 316.37
Synonyms: None
SMILES: O=C(NCC1=CC=C(F)C=C1)NCC2=CC=C(OC(C)C)C=C2
Tpsa: 50.36
Logp: 3.6123
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₁FN₂O₂
Molecular Weight:
316.37
Synonyms:
None
SMILES:
O=C(NCC1=CC=C(F)C=C1)NCC2=CC=C(OC(C)C)C=C2
Tpsa:
50.36
Logp:
3.6123
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈N₂O₃S₂
Molecular Weight: 208.26
Synonyms: None
SMILES: O=C(O)CNC(=O)CNC(=S)S
Tpsa: 78.43
Logp: -1.0085
H Acceptors: 3
H Donors: 4
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈N₂O₃S₂
Molecular Weight:
208.26
Synonyms:
None
SMILES:
O=C(O)CNC(=O)CNC(=S)S
Tpsa:
78.43
Logp:
-1.0085
H Acceptors:
3
H Donors:
4
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃F₂NO
Molecular Weight: 225.23
Synonyms: None
SMILES: O=C(C=1C=CC=C(F)C1F)C2CCNCC2
Tpsa: 29.1
Logp: 2.1471
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃F₂NO
Molecular Weight:
225.23
Synonyms:
None
SMILES:
O=C(C=1C=CC=C(F)C1F)C2CCNCC2
Tpsa:
29.1
Logp:
2.1471
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2