CS-0744720
[2-(3-Methylphenyl)pyrrolidin-1-yl]acetic acid
Manufacturer: ChemScene
CAS Number: 1018163-12-6
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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
C₁₃H₁₇NO₂
Molecular Weight
219.28
Synonyms
None
SMILES
CC1=CC=CC(=C1)C1CCCN1CC(O)=O
Tpsa
40.54
Logp
2.21652
H Acceptors
2
H Donors
1
Rotatable Bonds
3
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SAFETY INFORMATION
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: C₁₃H₁₇NO₂
Molecular Weight: 219.28
Synonyms: None
SMILES: CC1=CC=CC(=C1)C1CCCN1CC(O)=O
Tpsa: 40.54
Logp: 2.21652
H Acceptors: 2
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:
C₁₃H₁₇NO₂
Molecular Weight:
219.28
Synonyms:
None
SMILES:
CC1=CC=CC(=C1)C1CCCN1CC(O)=O
Tpsa:
40.54
Logp:
2.21652
H Acceptors:
2
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: C₈H₁₆ClN
Molecular Weight: 161.67
Synonyms: None
SMILES: CC(CCl)N1CCCCC1
Tpsa: 3.24
Logp: 2.0996
H Acceptors: 1
H Donors: 0
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:
C₈H₁₆ClN
Molecular Weight:
161.67
Synonyms:
None
SMILES:
CC(CCl)N1CCCCC1
Tpsa:
3.24
Logp:
2.0996
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD16613984
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₉ClF₃N₃
Molecular Weight: 227.61
Synonyms: None
SMILES: Cl.CN1N=C(C2=C1CNC2)C(F)(F)F
Tpsa: 29.85
Logp: 1.4639
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD16613984
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉ClF₃N₃
Molecular Weight:
227.61
Synonyms:
None
SMILES:
Cl.CN1N=C(C2=C1CNC2)C(F)(F)F
Tpsa:
29.85
Logp:
1.4639
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 95%
MDL No: MFCD04974449
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₅NO₅
Molecular Weight: 383.44
Synonyms: None
SMILES: CC(C)C[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)[C@H](O)C(O)=O
Tpsa: 95.86
Logp: 3.3853
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 7
Purity:
95%
MDL No:
MFCD04974449
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₅NO₅
Molecular Weight:
383.44
Synonyms:
None
SMILES:
CC(C)C[C@H](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)[C@H](O)C(O)=O
Tpsa:
95.86
Logp:
3.3853
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
7