기본 정보
- CAS
14328-51-9- 표준 SMILES
NC(C(=O)O)C1CCCCC1- InChIKey
WAMWSIDTKSNDCU-UHFFFAOYSA-N- 분자식
- C8H15NO2
- 평균 분자량
- 157.21 g/mol
- 단동위원소 질량
- 157.11027872
이름 및 식별자
- 우선 이름
- Cyclohexylglycine, (+-)-
- IUPAC
- 2-amino-2-cyclohexylacetic acid
- 영어명
- Amino-cyclohexyl-acetic acid
- 분자식
- C8H15NO2
- 분자량
- 157.21
이름 및 동의어
2-amino-2-cyclohexylacetic acid5664-29-9NSC-127894LLL792IE9L-(+)-2-Cyclohexylglycinealpha-Aminocyclohexaneacetic acidDTXSID40279475DL-alpha-Aminocyclohexylacetic acidCyclohexaneacetic acid, alpha-amino-.ALPHA.-AMINOCYCLOHEXANEACETIC ACIDDL-.ALPHA.-AMINOCYCLOHEXYLACETIC ACIDCYCLOHEXANEACETIC ACID, .ALPHA.-AMINO-
이름 더 보기
L-CYCLOHEXYLGLYCINEH-CHG-OHH-CYCLOHEXYL-GLY-OHL-2-CYCLOHEXYLGLYCINEDL-CHG-OH2-Cyclohexylglycine(S)-CYCLOHEXYLGLYCINE2-CYCLOHEXYL-L-GLYCINE(S)-2-Cyclohexylglycine
RefChem:580857Cyclohexylglycine, (+-)-DTXCID60230629604-343-2846-454-0CyclohexylglycineAmino-cyclohexyl-acetic acidamino(cyclohexyl)acetic acid
데이터베이스 식별자
- CAS
14328-51-9、5664-29-9- PubChem CID
- 224391
- DTXSID
DTXSID40279475- UNII
- 4LLL792IE9
- EC Number
- 604-343-2、846-454-0
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 141
물리화학적 성질
- 녹는점
- 256 °C · 256 °C
- 끓는 점
- 293 ℃ · 293℃
- 밀도
- 1.12 · 1.120
- 인화점
- 131 ℃ · 131℃
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 산도 계수 (pKa)
- 2.44 · 2.44±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChI
- InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)
- InChIKey
- WAMWSIDTKSNDCU-UHFFFAOYSA-N
- SMILES
- C1(C(N)C(O)=O)CCCCC1
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
유해성 정보
Hazard Classes and Categories
Skin Irrit. 2 (66.7%)
Skin Irrit. 2 (100%)
안전 데이터
- HS 번호
- 2922498590
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
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