CS-1000717
Rasagiline Impurity 20
Manufacturer: ChemScene
CAS Number: 1216757-54-8
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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
C₉ ₁₃C₃H₁₃N
Molecular Weight
174.22
Synonyms
None
SMILES
N([13CH2][13C]#[13CH])C1C=2C(CC1)=CC=CC2
Tpsa
12.03
Logp
1.8967
H Acceptors
1
H Donors
1
Rotatable Bonds
2
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: C₉ ₁₃C₃H₁₃N
Molecular Weight: 174.22
Synonyms: None
SMILES: N([13CH2][13C]#[13CH])C1C=2C(CC1)=CC=CC2
Tpsa: 12.03
Logp: 1.8967
H Acceptors: 1
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:
C₉ ₁₃C₃H₁₃N
Molecular Weight:
174.22
Synonyms:
None
SMILES:
N([13CH2][13C]#[13CH])C1C=2C(CC1)=CC=CC2
Tpsa:
12.03
Logp:
1.8967
H Acceptors:
1
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: C₂₈H₂₉NO₁₂
Molecular Weight: 571.53
Synonyms: None
SMILES: OC=1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(COC=O)=O)(O)C2)C(O)=C4C1C(=O)C=5C(C4=O)=C(OC)C=CC5
Tpsa: 212.14
Logp: 0.182
H Acceptors: 13
H Donors: 5
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₉NO₁₂
Molecular Weight:
571.53
Synonyms:
None
SMILES:
OC=1C2=C([C@@H](O[C@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C[C@@](C(COC=O)=O)(O)C2)C(O)=C4C1C(=O)C=5C(C4=O)=C(OC)C=CC5
Tpsa:
212.14
Logp:
0.182
H Acceptors:
13
H Donors:
5
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₃₄O₉
Molecular Weight: 526.57
Synonyms: None
SMILES: O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)C=C5)[H]
Tpsa: 139.59
Logp: 1.887
H Acceptors: 9
H Donors: 3
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:
C₂₉H₃₄O₉
Molecular Weight:
526.57
Synonyms:
None
SMILES:
O(C(C)=O)[C@]12[C@]3([C@H](OC(=O)C4=CC=CC=C4)[C@@]5(O)C(C)(C)C([C@@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@]1(OC2)[H])=C(C)C=C5)[H]
Tpsa:
139.59
Logp:
1.887
H Acceptors:
9
H Donors:
3
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: C₁₈H₁₉FN₄O₂
Molecular Weight: 342.37
Synonyms: None
SMILES: O=C1NC2=CC=C(F)C=C2C1=CC=3NC(=C(C(=O)NCCN)C3C)C
Tpsa: 100.01
Logp: 1.95184
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:
C₁₈H₁₉FN₄O₂
Molecular Weight:
342.37
Synonyms:
None
SMILES:
O=C1NC2=CC=C(F)C=C2C1=CC=3NC(=C(C(=O)NCCN)C3C)C
Tpsa:
100.01
Logp:
1.95184
H Acceptors:
3
H Donors:
4
Rotatable Bonds:
4