CS-0747130
N-[(2S)-1-Amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide;hydrate;hydrochloride
Manufacturer: ChemScene
CAS Number: 1089719-07-2
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Purity
98%
MDL No
MFCD00150330
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₂₂ClN₅O₃
Molecular Weight
331.80
Synonyms
None
SMILES
O.Cl.NC(=N)NCCC[C@H](NC(=O)C1=CC=CC=C1)C(N)=O
Tpsa
165.59
Logp
-0.86933
H Acceptors
3
H Donors
5
Rotatable Bonds
7
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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: MFCD00150330
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₂ClN₅O₃
Molecular Weight: 331.80
Synonyms: None
SMILES: O.Cl.NC(=N)NCCC[C@H](NC(=O)C1=CC=CC=C1)C(N)=O
Tpsa: 165.59
Logp: -0.86933
H Acceptors: 3
H Donors: 5
Rotatable Bonds: 7
Purity:
98%
MDL No:
MFCD00150330
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₂ClN₅O₃
Molecular Weight:
331.80
Synonyms:
None
SMILES:
O.Cl.NC(=N)NCCC[C@H](NC(=O)C1=CC=CC=C1)C(N)=O
Tpsa:
165.59
Logp:
-0.86933
H Acceptors:
3
H Donors:
5
Rotatable Bonds:
7
Purity: 95%
MDL No: MFCD13227267
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈BrFN₂O
Molecular Weight: 317.20
Synonyms: None
SMILES: OCCN1CCN(CC2=C(F)C=C(Br)C=C2)CC1
Tpsa: 26.71
Logp: 1.6981
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
MFCD13227267
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈BrFN₂O
Molecular Weight:
317.20
Synonyms:
None
SMILES:
OCCN1CCN(CC2=C(F)C=C(Br)C=C2)CC1
Tpsa:
26.71
Logp:
1.6981
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 95%
MDL No: MFCD28400545
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₁BrF₃N
Molecular Weight: 294.11
Synonyms: None
SMILES: FC(F)(F)C1=CC(=CC(Br)=C1)N1CCCC1
Tpsa: 3.24
Logp: 4.0681
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
95%
MDL No:
MFCD28400545
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₁BrF₃N
Molecular Weight:
294.11
Synonyms:
None
SMILES:
FC(F)(F)C1=CC(=CC(Br)=C1)N1CCCC1
Tpsa:
3.24
Logp:
4.0681
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₃₃BrN₂OSi
Molecular Weight: 413.47
Synonyms: None
SMILES: CC(C)(C)[Si](C)(C)OCCN1CCN(CC2=C(Br)C=CC=C2)CC1
Tpsa: 15.71
Logp: 4.5885
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₃₃BrN₂OSi
Molecular Weight:
413.47
Synonyms:
None
SMILES:
CC(C)(C)[Si](C)(C)OCCN1CCN(CC2=C(Br)C=CC=C2)CC1
Tpsa:
15.71
Logp:
4.5885
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6